Results for:
PubChem ID: 9865

Thiirane

Mass-Spectra

Compound Details

Synonymous names
Thiacyclopropane
Aethylensulfid
ethylenesulfide
Epithioethane
Dimethylene sulfide
Ethylene episulfide
Ethylene episulphide
Sulfurane
Ethylene sulphide
Thiirane
VOVUARRWDCVURC-UHFFFAOYSA-N
Thiiran
ETHYLENE SULFIDE
AC1L1TZV
AC1Q7FYU
ACMC-1AKDG
Aethylensulfid [German]
C2H4S
2,3-Dihydrothiirene
6858AF
Thiirene,3-dihydro-
WLN: T3STJ
Ethylene sulfide, 98%
CCRIS 782
CTK1D6264
E0133
NSC89690
C19419
HSDB 5489
HE073939
HE329965
CHEMBL3184935
DTXSID3049411
ACM420122
CHEBI:30977
DSSTox_GSID_49411
NSC 89690
NSC-89690
ANW-43979
SC-19359
LS-68549
FCH1115047
DSSTox_RID_83486
MFCD00005159
DSSTox_CID_29371
TR-031645
RTR-031645
A2W5165740
AI3-52351
Thiirene, 2,3-dihydro-
UNII-A2W5165740
Tox21_202917
420-12-2
NCGC00260463-01
EINECS 206-993-9
CAS-420-12-2
MolPort-001-782-825
55446-EP2308865A1
55446-EP2292597A1
54047-EP2371811A2
54047-EP2308865A1
54047-EP2308562A2
54047-EP2308510A1
54047-EP2292593A2
54047-EP2281818A1
54047-EP2270010A1
Ethylene sulfide, purum, >=97.5% (GC)
InChI=1/C2H4S/c1-2-3-1/h1-2H
Microorganism:

Yes

IUPAC namethiirane
SMILESC1CS1
InchiInChI=1S/C2H4S/c1-2-3-1/h1-2H2
FormulaC2H4S
PubChem ID9865
Molweight60.11
LogP0.53
Atoms7
Bonds7
H-bond Acceptor0
H-bond Donor0
Chemical Classificationthioethers sulfur compounds sulfides heterocyclic compounds

mVOC Specific Details

Boiling Point
DegreeReference
decomposes at 57 deg CLide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-484
Volatilization
The Henry's Law constant for ethylene sulfide is estimated as 3.5X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that ethylene sulfide is expect is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 5 days(SRC). Ethylene sulfide 's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethylene sulfide is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 250 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Zwolinski BJ, Wilhoit RC; Handbook of vapor pressures and heats of vaporizaton of hydrocarbons and related compounds. API44-TRC101. College Station, TX: Thermodynamcs Research Center (1971)
Solubility
Slightly soluble in ethanol and ether; soluble in acetone and chloroform
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-484
Literature: #In water, 2.8X10+4 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Jul 23, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethylene sulfide can be estimated to be 26(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethylene sulfide is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
250 mm Hg at 25 deg CZwolinski BJ, Wilhoit RC; Handbook of vapor pressures and heats of vaporizaton of hydrocarbons and related compounds. API44-TRC101. College Station, TX: Thermodynamcs Research Center (1971)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficile R005nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R107nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficile R005brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R107brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes