Molecular formula
C8H13NS2

SMILES
CC1N2CCC=C2SC(S1)C

Safety labels

Fragrance
Meaty	77.52%
Roasted	73.38%
Nutty	68.09%
Cooked	44.76%
Beefy	43.13%
Popcorn	36.69%
Sulfurous	33.19%
Savory	30.62%
Earthy	29.5%
Hazelnut	28.81%

 

Flavor
Roasted	46.78%
Meaty	25.08%
Sulfurous	23.72%
Cooked	22.56%
Taco	22.31%
Bouillon	22.26%
Alkaline	22.07%
Shrimp	22.02%
Cereal	21.84%
Scallion	21.78%

 

Odor impact est.
High

XLogP3-AA
3.2

pKa est.
5.61 (weak acid)

Molecular weight
187.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
281°C

Flash point

• 127.13 ˚C est.

• SCHEMBL10745276
• 4H-Pyrrolo[2,1-d]-1,3,5-dithiazine,tetrahydro-2,4-dimethyl-, [2S-(2a,4a,8ab)]- (9CI)

2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is primarily evaluated as an advanced intermediate in pharmaceutical synthesis, serving as a building block for heterocyclic drug candidates; it is also considered as a scaffold for agrochemical development due to its rigid fused heterocycle structure. In materials and electronics contexts, the compound is explored as a precursor for specialty polymers and for organic electronics, where its heterocyclic core can be incorporated into polymeric or semiconducting systems. It may also serve as a starting point for dyes, pigments, or coating formulations in coatings/inks. In industrial R&D, it is viewed as a versatile intermediate across synthesis workflows, with use cases limited by formulation constraints and regulatory requirements.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	133.7
methanol	166.23
isopropanol	104.47
water	5.24
ethyl acetate	291.58
n-propanol	125.17
acetone	386.45
n-butanol	112.25
acetonitrile	275.82
DMF	476.59
toluene	249.25
isobutanol	96.77
1,4-dioxane	564.76
methyl acetate	296.68
THF	584.84
2-butanone	300.43
n-pentanol	84.49
sec-butanol	93.06
n-hexane	7.32
ethylene glycol	101.42
NMP	565.15
cyclohexane	27.2
DMSO	506.87
n-butyl acetate	217.3
n-octanol	98.59
chloroform	774.71
n-propyl acetate	170.37
acetic acid	264.3
dichloromethane	664.48
cyclohexanone	508.25
propylene glycol	91.6
isopropyl acetate	204.04
DMAc	387.31
2-ethoxyethanol	216.85
isopentanol	96.67
n-heptane	15.81
ethyl formate	200.75
1,2-dichloroethane	346.77
n-hexanol	126.15
2-methoxyethanol	355.23
isobutyl acetate	129.78
tetrachloromethane	160.35
n-pentyl acetate	185.81
transcutol	633.55
n-heptanol	94.38
ethylbenzene	79.47
MIBK	164.96
2-propoxyethanol	341.8
tert-butanol	118.29
MTBE	123.86
2-butoxyethanol	215.89
propionic acid	184.78
o-xylene	143.21
formic acid	118.61
diethyl ether	162.35
m-xylene	170.35
p-xylene	103.58
chlorobenzene	359.79
dimethyl carbonate	189.9
n-octane	9.46
formamide	159.13
cyclopentanone	603.79
2-pentanone	241.86
anisole	219.99
cyclopentyl methyl ether	282.9
gamma-butyrolactone	634.27
1-methoxy-2-propanol	271.59
pyridine	497.42
3-pentanone	232.12
furfural	688.46
n-dodecane	12.9
diethylene glycol	333.75
diisopropyl ether	69.71
tert-amyl alcohol	93.4
acetylacetone	434.25
n-hexadecane	15.26
acetophenone	227.78
methyl propionate	261.08
isopentyl acetate	194.71
trichloroethylene	779.26
n-nonanol	89.78
cyclohexanol	151.78
benzyl alcohol	175.94
2-ethylhexanol	92.7
isooctanol	79.75
dipropyl ether	116.76
1,2-dichlorobenzene	319.07
ethyl lactate	118.63
propylene carbonate	339.32
n-methylformamide	251.57
2-pentanol	81.77
n-pentane	11.48
1-propoxy-2-propanol	228.63
1-methoxy-2-propyl acetate	295.8
2-(2-methoxypropoxy) propanol	215.89
mesitylene	111.49
ε-caprolactone	419.79
p-cymene	81.52
epichlorohydrin	580.45
1,1,1-trichloroethane	420.24
2-aminoethanol	121.92
morpholine-4-carbaldehyde	611.91
sulfolane	685.67
2,2,4-trimethylpentane	11.65
2-methyltetrahydrofuran	378.89
n-hexyl acetate	226.51
isooctane	10.77
2-(2-butoxyethoxy)ethanol	270.84
sec-butyl acetate	131.45
tert-butyl acetate	214.22
decalin	20.19
glycerin	177.38
diglyme	476.81
acrylic acid	208.83
isopropyl myristate	109.76
n-butyric acid	218.55
acetyl acetate	290.08
di(2-ethylhexyl) phthalate	122.02
ethyl propionate	151.64
nitromethane	580.64
1,2-diethoxyethane	232.07
benzonitrile	294.28
trioctyl phosphate	88.78
1-bromopropane	171.24
gamma-valerolactone	848.36
n-decanol	70.77
triethyl phosphate	108.42
4-methyl-2-pentanol	65.15
propionitrile	184.81
vinylene carbonate	390.0
1,1,2-trichlorotrifluoroethane	429.41
DMS	242.05
cumene	63.8
2-octanol	69.49
2-hexanone	154.87
octyl acetate	135.28
limonene	109.74
1,2-dimethoxyethane	305.18
ethyl orthosilicate	102.1
tributyl phosphate	104.71
diacetone alcohol	215.97
N,N-dimethylaniline	145.22
acrylonitrile	254.49
aniline	245.96
1,3-propanediol	160.76
bromobenzene	395.28
dibromomethane	385.85
1,1,2,2-tetrachloroethane	514.34
2-methyl-cyclohexyl acetate	160.18
tetrabutyl urea	127.44
diisobutyl methanol	65.49
2-phenylethanol	194.14
styrene	110.11
dioctyl adipate	149.6
dimethyl sulfate	319.82
ethyl butyrate	159.4
methyl lactate	174.35
butyl lactate	143.61
diethyl carbonate	122.54
propanediol butyl ether	194.07
triethyl orthoformate	137.79
p-tert-butyltoluene	81.21
methyl 4-tert-butylbenzoate	218.04
morpholine	456.16
tert-butylamine	69.27
n-dodecanol	58.53
dimethoxymethane	372.7
ethylene carbonate	317.38
cyrene	249.2
2-ethoxyethyl acetate	296.39
2-ethylhexyl acetate	178.96
1,2,4-trichlorobenzene	390.82
4-methylpyridine	419.0
dibutyl ether	105.2
2,6-dimethyl-4-heptanol	65.49
DEF	266.89
dimethyl isosorbide	373.49
tetrachloroethylene	341.97
eugenol	223.59
triacetin	263.98
span 80	196.73
1,4-butanediol	87.28
1,1-dichloroethane	350.65
2-methyl-1-pentanol	82.04
methyl formate	266.2
2-methyl-1-butanol	96.11
n-decane	18.12
butyronitrile	173.65
3,7-dimethyl-1-octanol	95.58
1-chlorooctane	81.1
1-chlorotetradecane	41.19
n-nonane	15.64
undecane	14.89
tert-butylcyclohexane	17.73
cyclooctane	13.74
cyclopentanol	180.26
tetrahydropyran	340.72
tert-amyl methyl ether	113.68
2,5,8-trioxanonane	358.07
1-hexene	31.51
2-isopropoxyethanol	166.49
2,2,2-trifluoroethanol	167.57
methyl butyrate	175.7

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