Molecular formula
C3H4S

SMILES
CC1=CS1

Fragrance
Sulfurous	69.7%
Meaty	63.42%
Roasted	54.34%
Onion	53.49%
Garlic	47.61%
Cooked	39.41%
Savory	37.62%
Alliaceous	37.26%
Beefy	30.77%
Burnt	23.25%

 

Flavor
Roasted	44.09%
Nutty	44.03%
Meaty	37.61%
Sulfurous	35.4%
Onion	34.06%
Vegetable	31.79%
Sulfur	31.07%
Garlic	29.85%
Alliaceous	28.97%
Green	28.18%

 

Odor impact est.
High

XLogP3-AA
1.0

pKa est.
5.13 (weak acid)

Molecular weight
72.13 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
61°C

Flash point

• -6.15 ˚C est.

• 2-methylthiirene
• HCH3(cyc-CCS)
• Thiirene, methyl-

Applications of 2-Methylthiirene in real-world settings include its use as a reactive intermediate in organic synthesis to access sulfur-containing compounds and sulfur heterocycles; it may serve as a monomer or comonomer for specialty polymers after appropriate polymerization; it functions as a building block in pharmaceutical and agrochemical research for preparing sulfur-containing heterocycles; it is used as a reactive intermediate in academic and industrial research to explore ring-opening and functionalization of thiirene rings; and, with proper handling and regulatory compliance, it may be evaluated for use in advanced materials and coatings as a precursor to sulfur-rich materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	340.81
methanol	266.3
isopropanol	281.57
water	4.59
ethyl acetate	301.54
n-propanol	290.81
acetone	427.88
n-butanol	276.59
acetonitrile	295.48
DMF	367.5
toluene	198.38
isobutanol	209.41
1,4-dioxane	534.25
methyl acetate	317.46
THF	615.75
2-butanone	422.36
n-pentanol	208.59
sec-butanol	293.16
n-hexane	72.37
ethylene glycol	132.24
NMP	371.9
cyclohexane	105.19
DMSO	319.86
n-butyl acetate	251.24
n-octanol	177.53
chloroform	439.0
n-propyl acetate	188.75
acetic acid	321.15
dichloromethane	316.93
cyclohexanone	358.13
propylene glycol	214.83
isopropyl acetate	181.2
DMAc	387.51
2-ethoxyethanol	319.05
isopentanol	201.29
n-heptane	116.46
ethyl formate	149.95
1,2-dichloroethane	205.58
n-hexanol	311.75
2-methoxyethanol	432.65
isobutyl acetate	132.48
tetrachloromethane	119.2
n-pentyl acetate	150.65
transcutol	740.64
n-heptanol	169.17
ethylbenzene	95.79
MIBK	190.27
2-propoxyethanol	460.94
tert-butanol	304.8
MTBE	273.82
2-butoxyethanol	276.66
propionic acid	253.73
o-xylene	129.64
formic acid	108.4
diethyl ether	344.48
m-xylene	139.02
p-xylene	115.22
chlorobenzene	185.34
dimethyl carbonate	134.15
n-octane	37.6
formamide	137.53
cyclopentanone	422.37
2-pentanone	329.13
anisole	219.58
cyclopentyl methyl ether	326.38
gamma-butyrolactone	367.67
1-methoxy-2-propanol	388.62
pyridine	352.41
3-pentanone	290.2
furfural	317.88
n-dodecane	32.0
diethylene glycol	321.67
diisopropyl ether	131.85
tert-amyl alcohol	280.53
acetylacetone	298.42
n-hexadecane	35.18
acetophenone	187.96
methyl propionate	266.83
isopentyl acetate	195.13
trichloroethylene	385.84
n-nonanol	155.41
cyclohexanol	240.91
benzyl alcohol	164.37
2-ethylhexanol	191.38
isooctanol	125.49
dipropyl ether	276.4
1,2-dichlorobenzene	151.38
ethyl lactate	119.53
propylene carbonate	206.28
n-methylformamide	192.02
2-pentanol	233.64
n-pentane	88.0
1-propoxy-2-propanol	386.35
1-methoxy-2-propyl acetate	268.25
2-(2-methoxypropoxy) propanol	247.04
mesitylene	90.4
ε-caprolactone	286.85
p-cymene	98.23
epichlorohydrin	389.52
1,1,1-trichloroethane	278.09
2-aminoethanol	215.26
morpholine-4-carbaldehyde	433.21
sulfolane	326.14
2,2,4-trimethylpentane	47.22
2-methyltetrahydrofuran	462.35
n-hexyl acetate	211.79
isooctane	43.05
2-(2-butoxyethoxy)ethanol	333.54
sec-butyl acetate	141.56
tert-butyl acetate	195.13
decalin	50.51
glycerin	239.1
diglyme	507.12
acrylic acid	216.66
isopropyl myristate	103.33
n-butyric acid	255.72
acetyl acetate	197.02
di(2-ethylhexyl) phthalate	93.74
ethyl propionate	176.92
nitromethane	346.49
1,2-diethoxyethane	302.81
benzonitrile	180.71
trioctyl phosphate	73.03
1-bromopropane	193.35
gamma-valerolactone	462.98
n-decanol	122.35
triethyl phosphate	90.35
4-methyl-2-pentanol	133.51
propionitrile	239.19
vinylene carbonate	180.4
1,1,2-trichlorotrifluoroethane	335.86
DMS	164.61
cumene	71.26
2-octanol	118.77
2-hexanone	227.57
octyl acetate	140.02
limonene	156.86
1,2-dimethoxyethane	363.7
ethyl orthosilicate	95.97
tributyl phosphate	80.13
diacetone alcohol	260.38
N,N-dimethylaniline	145.43
acrylonitrile	236.87
aniline	224.28
1,3-propanediol	241.46
bromobenzene	177.14
dibromomethane	248.46
1,1,2,2-tetrachloroethane	321.72
2-methyl-cyclohexyl acetate	153.39
tetrabutyl urea	110.35
diisobutyl methanol	116.36
2-phenylethanol	199.34
styrene	123.5
dioctyl adipate	128.19
dimethyl sulfate	157.41
ethyl butyrate	187.83
methyl lactate	175.02
butyl lactate	133.42
diethyl carbonate	120.86
propanediol butyl ether	272.77
triethyl orthoformate	149.29
p-tert-butyltoluene	101.52
methyl 4-tert-butylbenzoate	172.02
morpholine	550.64
tert-butylamine	215.38
n-dodecanol	102.08
dimethoxymethane	294.03
ethylene carbonate	162.68
cyrene	208.2
2-ethoxyethyl acetate	217.83
2-ethylhexyl acetate	171.12
1,2,4-trichlorobenzene	199.93
4-methylpyridine	288.65
dibutyl ether	171.88
2,6-dimethyl-4-heptanol	116.36
DEF	280.53
dimethyl isosorbide	300.83
tetrachloroethylene	210.98
eugenol	166.63
triacetin	219.12
span 80	246.9
1,4-butanediol	137.91
1,1-dichloroethane	278.58
2-methyl-1-pentanol	168.18
methyl formate	145.72
2-methyl-1-butanol	219.36
n-decane	48.54
butyronitrile	220.75
3,7-dimethyl-1-octanol	154.91
1-chlorooctane	109.33
1-chlorotetradecane	60.1
n-nonane	49.05
undecane	38.08
tert-butylcyclohexane	49.1
cyclooctane	52.47
cyclopentanol	279.23
tetrahydropyran	465.57
tert-amyl methyl ether	236.68
2,5,8-trioxanonane	364.3
1-hexene	143.63
2-isopropoxyethanol	253.84
2,2,2-trifluoroethanol	137.45
methyl butyrate	185.6

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