Thifensulfuron-methyl

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  • Identifiers

    CAS number
    79277-27-3

    Molecular formula
    C12H13N5O6S2

    SMILES
    CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 65.95%
    Cooked 30.22%
    Roasted 30.14%
    Savory 27.11%
    Meaty 27.06%
    Sulfurous 21.02%
    Grape 19.97%
    Fruity 18.29%
    Nutty 15.66%
    Burnt 15.26%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    387.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1585°C

    Melting point expt.

    • 186 °C

    Flash point est.
    246.15 ˚C

    Solubility expt.

    • In water, 2.24X10+3 mg/L at 25 °C

  • Synonyms

    • Thifensulfuron-methyl
    • 79277-27-3
    • Thifensulfuron methyl
    • Harmony
    • Thiameturon-methyl
    • Pinnacle
    • Refine
    • methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
    • Caswell No. 573S
    • Harmony GT
    • Refine DF
    • Harmony GT-XP
    • Pinnacle 25DF
    • Harmony 75DF
    • HSDB 7354
    • DPX-M 6316
    • Thifensulfuron methyl ester
    • UNII-5VFH25ES6F
    • EPA Pesticide Chemical Code 128845
    • DTXSID1024124
    • CHEBI:83453
    • Thifensulfuron-methyl [ANSI:ISO:BSI]
    • 5VFH25ES6F
    • DTXCID804124
    • THIFENSULFURON-METHYL [MI]
    • THIFENSULFURON-METHYL [ISO]
    • THIFENSULFURON-METHYL [HSDB]
    • Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate
    • Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate
    • 2-Thiophenecarboxylic acid, 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester
    • Methyl 3-(N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylate
    • Thifensulfuron-methyl 100 microg/mL in Acetonitrile
    • Thifensulfuron-methyl (ANSI:ISO:BSI)
    • 2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester
    • methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate
    • CAS-79277-27-3
    • INM 6316
    • Thiameturonmethyl
    • hifensulfuron methyl
    • methyl 3-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylate
    • methyl 3-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl)thiophene-2-carboxylate
    • methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophen-2-carboxylate(Tomlin CDS, ed. Thifensulfuron-methyl (79277-27-3). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council.)
    • methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophen-2-carboxylate[Tomlin CDS, ed. Thifensulfuron-methyl (79277-27-3). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council.]
    • R4O
    • MFCD00468118
    • SCHEMBL53606
    • CHEMBL1904815
    • SCHEMBL21300509
    • DPX-M6316
    • DPXM 6316
    • AHTPATJNIAFOLR-UHFFFAOYSA-N
    • Tox21_202184
    • Tox21_303088
    • AKOS015895549
    • FT40849
    • HY-W020020
    • methyl 3-(3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl)thiophene-2-carboxylate
    • USEPA/OPP Pesticide Code: 128845
    • NCGC00164306-01
    • NCGC00164306-02
    • NCGC00257197-01
    • NCGC00259733-01
    • AC-18013
    • AS-12829
    • DB-056356
    • CS-0031882
    • NS00001276
    • T3166
    • T72949
    • EN300-1708877
    • Q22808965
    • Thifensulfuron-methyl, PESTANAL(R), analytical standard
    • Z3234883112
    • Methyl 3(4methoxy6methyl1,3,5triazin2ylcarbamoylsulfamoyl)2thenoate
    • 2Thiophenecarboxylic acid, 3(((((4methoxy6methyl1,3,5triazin2yl)amino)carbonyl)amino)sulfonyl), methyl ester
    • 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylic acid methyl ester
    • 616-673-4
    • methyl 3-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]amino}sulfonyl)thiophene-2-carboxylate
    • methyl 3-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]thiophene-2-carboxylate
    • thifensulfuron-methyl (ISO);methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.36
    methanol 0.83
    isopropanol 0.1
    water 0.07
    ethyl acetate 0.7
    n-propanol 0.29
    acetone 0.71
    n-butanol 0.21
    acetonitrile 0.93
    DMF 9.68
    toluene 0.06
    isobutanol 0.14
    1,4-dioxane 0.91
    methyl acetate 1.21
    THF 2.41
    2-butanone 1.51
    n-pentanol 0.13
    sec-butanol 0.19
    n-hexane 0.01
    ethylene glycol 0.48
    NMP 46.24
    cyclohexane 0.01
    DMSO 19.66
    n-butyl acetate 0.87
    n-octanol 0.09
    chloroform 0.61
    n-propyl acetate 0.69
    acetic acid 1.45
    dichloromethane 0.95
    cyclohexanone 2.55
    propylene glycol 0.57
    isopropyl acetate 0.26
    DMAc 23.11
    2-ethoxyethanol 1.62
    isopentanol 0.14
    n-heptane 0.01
    ethyl formate 1.61
    1,2-dichloroethane 0.52
    n-hexanol 0.1
    2-methoxyethanol 4.45
    isobutyl acetate 0.24
    tetrachloromethane 0.05
    n-pentyl acetate 0.43
    transcutol 1.43
    n-heptanol 0.11
    ethylbenzene 0.05
    MIBK 0.3
    2-propoxyethanol 2.28
    tert-butanol 0.08
    MTBE 0.06
    2-butoxyethanol 1.15
    propionic acid 1.1
    o-xylene 0.06
    formic acid 4.37
    diethyl ether 0.14
    m-xylene 0.04
    p-xylene 0.09
    chlorobenzene 0.16
    dimethyl carbonate 1.48
    n-octane 0.0
    formamide 7.96
    cyclopentanone 5.47
    2-pentanone 0.73
    anisole 0.29
    cyclopentyl methyl ether 0.36
    gamma-butyrolactone 9.82
    1-methoxy-2-propanol 1.98
    pyridine 1.97
    3-pentanone 0.72
    furfural 13.13
    n-dodecane 0.0
    diethylene glycol 3.17
    diisopropyl ether 0.02
    tert-amyl alcohol 0.16
    acetylacetone 1.39
    n-hexadecane 0.01
    acetophenone 0.98
    methyl propionate 1.38
    isopentyl acetate 0.56
    trichloroethylene 1.62
    n-nonanol 0.1
    cyclohexanol 0.18
    benzyl alcohol 0.42
    2-ethylhexanol 0.1
    isooctanol 0.09
    dipropyl ether 0.19
    1,2-dichlorobenzene 0.24
    ethyl lactate 1.43
    propylene carbonate 3.85
    n-methylformamide 4.89
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 1.35
    1-methoxy-2-propyl acetate 1.54
    2-(2-methoxypropoxy) propanol 1.8
    mesitylene 0.02
    ε-caprolactone 3.42
    p-cymene 0.06
    epichlorohydrin 5.41
    1,1,1-trichloroethane 0.18
    2-aminoethanol 0.67
    morpholine-4-carbaldehyde 14.77
    sulfolane 24.51
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.84
    n-hexyl acetate 0.36
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.44
    sec-butyl acetate 0.28
    tert-butyl acetate 0.26
    decalin 0.01
    glycerin 2.48
    diglyme 3.04
    acrylic acid 1.93
    isopropyl myristate 0.15
    n-butyric acid 0.95
    acetyl acetate 0.49
    di(2-ethylhexyl) phthalate 0.51
    ethyl propionate 0.84
    nitromethane 7.51
    1,2-diethoxyethane 0.35
    benzonitrile 0.8
    trioctyl phosphate 0.31
    1-bromopropane 0.16
    gamma-valerolactone 14.37
    n-decanol 0.08
    triethyl phosphate 0.84
    4-methyl-2-pentanol 0.05
    propionitrile 0.78
    vinylene carbonate 3.93
    1,1,2-trichlorotrifluoroethane 8.51
    DMS 0.87
    cumene 0.04
    2-octanol 0.07
    2-hexanone 0.69
    octyl acetate 0.26
    limonene 0.07
    1,2-dimethoxyethane 3.19
    ethyl orthosilicate 0.52
    tributyl phosphate 0.42
    diacetone alcohol 0.93
    N,N-dimethylaniline 0.24
    acrylonitrile 1.84
    aniline 0.26
    1,3-propanediol 1.0
    bromobenzene 0.12
    dibromomethane 0.38
    1,1,2,2-tetrachloroethane 1.02
    2-methyl-cyclohexyl acetate 0.61
    tetrabutyl urea 0.88
    diisobutyl methanol 0.05
    2-phenylethanol 0.42
    styrene 0.06
    dioctyl adipate 0.48
    dimethyl sulfate 6.28
    ethyl butyrate 0.91
    methyl lactate 3.15
    butyl lactate 0.91
    diethyl carbonate 0.83
    propanediol butyl ether 0.84
    triethyl orthoformate 0.69
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.09
    morpholine 1.67
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 2.39
    ethylene carbonate 2.25
    cyrene 5.25
    2-ethoxyethyl acetate 0.88
    2-ethylhexyl acetate 0.48
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 1.23
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.45
    dimethyl isosorbide 4.71
    tetrachloroethylene 0.53
    eugenol 1.59
    triacetin 0.97
    span 80 0.92
    1,4-butanediol 0.33
    1,1-dichloroethane 0.19
    2-methyl-1-pentanol 0.12
    methyl formate 3.89
    2-methyl-1-butanol 0.19
    n-decane 0.01
    butyronitrile 0.58
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.38
    tetrahydropyran 0.37
    tert-amyl methyl ether 0.13
    2,5,8-trioxanonane 2.84
    1-hexene 0.03
    2-isopropoxyethanol 0.61
    2,2,2-trifluoroethanol 1.85
    methyl butyrate 1.43

    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