Thiencarbazone-methyl

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  • Identifiers

    CAS number
    317815-83-1

    Molecular formula
    C12H14N4O7S2

    SMILES
    CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 71.94%
    Roasted 25.05%
    Cooked 24.44%
    Grape 20.7%
    Savory 19.67%
    Meaty 18.49%
    Fruity 16.68%
    Bitter 16.06%
    Burnt 15.81%
    Sulfurous 15.07%

     

    Flavor
    Bitter 83.01%
    Odorless 35.06%
    Bland 24.08%
    Very mild 19.2%
    Taco 18.84%
    Nitrile 18.75%
    Bread crust 18.62%
    Roasted peanuts 18.52%
    Cedarleaf 17.93%
    Sweet-like 17.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    3.55 (weak acid)

    Molecular weight
    390.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1593°C

    Flash point

    • 241.34 ˚C est.

  • Synonyms

    • Thiencarbazone-methyl
    • 317815-83-1
    • Velocity
    • Thiencarbazone-methyl [ISO]
    • Capreno
    • Celsius
    • Adengo
    • Autumn
    • UNII-1MX00PIM4H
    • 1MX00PIM4H
    • Methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methylthiophene-3-carboxylate
    • DTXSID0058275
    • CHEBI:145500
    • BYH 18636
    • 3-[N-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazole-1-yl)carbonyl]sulfamoyl]-2-methyl-4-thiophenecarboxylic acid methyl ester
    • 3-Thiophenecarboxylic acid, 4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-, methyl ester
    • methyl 4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1h-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-3-thiophenecarboxylate
    • METHYL 4-((((4,5-DIHYDRO-3-METHOXY-4-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1-YL)CARBONYL)AMINO)SULFONYL)-5-METHYL-3-THIOPHENECARBOXYLATE
    • METHYL 4-((4,5-DIHYDRO-3-METHOXY-4-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1-YL)CARBONYLSULFAMOYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE
    • methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate
    • methyl 4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate
    • 3-(N-((4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazole-1-yl)carbonyl)sulfamoyl)-2-methyl-4-thiophenecarboxylic acid methyl ester
    • 3-Thiophenecarboxylic acid, 4-((((4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)-5-methyl-, methyl ester
    • methyl 4-(((3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)sulfamoyl)-5-methylthiophene-3-carboxylate
    • methyl 4-((4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl)-5-methylthiophene-3-carboxylate
    • RefChem:189372
    • DTXCID3032094
    • XSKZXGDFSCCXQX-UHFFFAOYSA-N
    • methyl 4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate
    • Methyl 4-(N-(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)sulfamoyl)-5-methylthiophene-3-carboxylate
    • Methyl 4-[(3-Methoxy-4-Methyl-5-Oxidanylidene-1,2,4-Triazol-1-Yl)carbonylsulfamoyl]-5-Methyl-Thiophene-3-Carboxylate
    • Corvus
    • C12H14N4O7S2
    • SCHEMBL114711
    • Thiencarbazone-methyl 100 microg/mL in Acetonitrile
    • MSK22640
    • SMA81583
    • methyl 4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)amino]sulfonyl}-5-methylthiophene-3-carboxylate
    • NS00005087
    • EN300-18799547
    • Q27252628
    • Thiencarbazone-methyl, PESTANAL(R), analytical standard
    • 6R5
    • methyl 4-({[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl)carbonyl]amino}-sulfonyl)-5-methylthiophene-3-carboxylate
    • methyl 4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methyl-thiophene-3-carboxylate
    • Methyl 4-[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate
    • 317815-83-1

  • Applications

    Thiencarbazone-methyl is an herbicide active ingredient used in agriculture to control selective weed populations. In integrated weed-management programs, it supports the control of a defined range of weed species and is commonly used in formulations with other herbicides to broaden the spectrum and enhance resistance management. It may be applied pre-emergence or post-emergence in certain crops, depending on regulatory allowances and formulation restrictions. As an active ingredient in commercial herbicide products, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.22
    methanol 0.42
    isopropanol 0.09
    water 0.03
    ethyl acetate 0.85
    n-propanol 0.14
    acetone 1.66
    n-butanol 0.11
    acetonitrile 2.29
    DMF 16.6
    toluene 0.15
    isobutanol 0.09
    1,4-dioxane 3.22
    methyl acetate 2.12
    THF 4.76
    2-butanone 1.67
    n-pentanol 0.11
    sec-butanol 0.12
    n-hexane 0.0
    ethylene glycol 0.26
    NMP 51.6
    cyclohexane 0.02
    DMSO 17.64
    n-butyl acetate 1.08
    n-octanol 0.14
    chloroform 2.92
    n-propyl acetate 0.86
    acetic acid 2.03
    dichloromethane 4.5
    cyclohexanone 4.25
    propylene glycol 0.14
    isopropyl acetate 0.41
    DMAc 29.15
    2-ethoxyethanol 1.47
    isopentanol 0.12
    n-heptane 0.01
    ethyl formate 1.7
    1,2-dichloroethane 1.78
    n-hexanol 0.13
    2-methoxyethanol 3.1
    isobutyl acetate 0.34
    tetrachloromethane 0.15
    n-pentyl acetate 0.59
    transcutol 1.13
    n-heptanol 0.17
    ethylbenzene 0.1
    MIBK 0.4
    2-propoxyethanol 2.32
    tert-butanol 0.13
    MTBE 0.12
    2-butoxyethanol 1.3
    propionic acid 0.77
    o-xylene 0.13
    formic acid 3.29
    diethyl ether 0.16
    m-xylene 0.07
    p-xylene 0.24
    chlorobenzene 0.64
    dimethyl carbonate 2.42
    n-octane 0.0
    formamide 8.16
    cyclopentanone 8.02
    2-pentanone 0.66
    anisole 0.66
    cyclopentyl methyl ether 0.5
    gamma-butyrolactone 13.56
    1-methoxy-2-propanol 1.22
    pyridine 5.37
    3-pentanone 0.77
    furfural 18.65
    n-dodecane 0.01
    diethylene glycol 2.46
    diisopropyl ether 0.03
    tert-amyl alcohol 0.18
    acetylacetone 2.51
    n-hexadecane 0.01
    acetophenone 1.98
    methyl propionate 1.29
    isopentyl acetate 0.9
    trichloroethylene 7.65
    n-nonanol 0.15
    cyclohexanol 0.2
    benzyl alcohol 0.78
    2-ethylhexanol 0.13
    isooctanol 0.14
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.97
    ethyl lactate 1.05
    propylene carbonate 4.99
    n-methylformamide 5.14
    2-pentanol 0.05
    n-pentane 0.0
    1-propoxy-2-propanol 1.11
    1-methoxy-2-propyl acetate 1.71
    2-(2-methoxypropoxy) propanol 1.75
    mesitylene 0.05
    ε-caprolactone 4.29
    p-cymene 0.12
    epichlorohydrin 10.85
    1,1,1-trichloroethane 0.85
    2-aminoethanol 0.3
    morpholine-4-carbaldehyde 21.73
    sulfolane 26.84
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.54
    n-hexyl acetate 0.55
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.29
    sec-butyl acetate 0.36
    tert-butyl acetate 0.47
    decalin 0.01
    glycerin 0.84
    diglyme 3.83
    acrylic acid 1.64
    isopropyl myristate 0.23
    n-butyric acid 0.69
    acetyl acetate 1.27
    di(2-ethylhexyl) phthalate 0.8
    ethyl propionate 0.83
    nitromethane 16.74
    1,2-diethoxyethane 0.48
    benzonitrile 2.08
    trioctyl phosphate 0.42
    1-bromopropane 0.26
    gamma-valerolactone 19.71
    n-decanol 0.11
    triethyl phosphate 1.12
    4-methyl-2-pentanol 0.05
    propionitrile 0.97
    vinylene carbonate 6.13
    1,1,2-trichlorotrifluoroethane 11.78
    DMS 1.44
    cumene 0.07
    2-octanol 0.1
    2-hexanone 0.89
    octyl acetate 0.39
    limonene 0.13
    1,2-dimethoxyethane 4.62
    ethyl orthosilicate 0.72
    tributyl phosphate 0.55
    diacetone alcohol 1.11
    N,N-dimethylaniline 0.48
    acrylonitrile 2.85
    aniline 0.47
    1,3-propanediol 0.55
    bromobenzene 0.56
    dibromomethane 1.36
    1,1,2,2-tetrachloroethane 3.86
    2-methyl-cyclohexyl acetate 1.08
    tetrabutyl urea 1.24
    diisobutyl methanol 0.07
    2-phenylethanol 0.97
    styrene 0.14
    dioctyl adipate 0.67
    dimethyl sulfate 9.79
    ethyl butyrate 0.93
    methyl lactate 1.82
    butyl lactate 0.71
    diethyl carbonate 1.12
    propanediol butyl ether 0.58
    triethyl orthoformate 0.85
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.75
    morpholine 3.53
    tert-butylamine 0.04
    n-dodecanol 0.08
    dimethoxymethane 3.41
    ethylene carbonate 3.6
    cyrene 5.81
    2-ethoxyethyl acetate 1.21
    2-ethylhexyl acetate 0.78
    1,2,4-trichlorobenzene 1.85
    4-methylpyridine 2.93
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.07
    DEF 2.74
    dimethyl isosorbide 5.78
    tetrachloroethylene 2.05
    eugenol 2.22
    triacetin 1.41
    span 80 0.92
    1,4-butanediol 0.24
    1,1-dichloroethane 0.6
    2-methyl-1-pentanol 0.13
    methyl formate 5.11
    2-methyl-1-butanol 0.12
    n-decane 0.01
    butyronitrile 0.64
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.42
    tetrahydropyran 0.76
    tert-amyl methyl ether 0.17
    2,5,8-trioxanonane 3.23
    1-hexene 0.03
    2-isopropoxyethanol 0.73
    2,2,2-trifluoroethanol 2.84
    methyl butyrate 1.53

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction