Results for:
chemical Classification: thiiranes

Thiirane

Mass-Spectra

Compound Details

Synonymous names
Thiirane
ETHYLENE SULFIDE
420-12-2
Thiacyclopropane
Ethylene sulphide
2,3-Dihydrothiirene
Dimethylene sulfide
Ethylene episulfide
Sulfurane
Thiiran
Epithioethane
Ethylene episulphide
Thiirene, 2,3-dihydro-
Aethylensulfid
NSC 89690
DTXSID3049411
CHEBI:30977
NSC-89690
A2W5165740
Aethylensulfid [German]
CCRIS 782
HSDB 5489
EINECS 206-993-9
ethylenesulfide
AI3-52351
UNII-A2W5165740
Thiirene,3-dihydro-
Ethylene sulfide, 98%
WLN: T3STJ
ETHYLENE SULFIDE [MI]
ETHYLENE SULFIDE [HSDB]
ETHYLENE SULFIDE [IARC]
CHEMBL3184935
DTXCID2029371
NSC89690
Tox21_202917
MFCD00005159
AKOS037795694
NCGC00260463-01
CAS-420-12-2
DB-243558
Ethylene sulfide, purum, >=97.5% (GC)
E0133
InChI=1/C2H4S/c1-2-3-1/h1-2H
NS00022170
C19419
D90441
Ethylene sulfide (stabilised with Butyl mercaptan)
Q220676
Ethylene sulfide stabilized with ~1% butylmercaptan
Microorganism:

Yes

IUPAC namethiirane
SMILESC1CS1
InchiInChI=1S/C2H4S/c1-2-3-1/h1-2H2
FormulaC2H4S
PubChem ID9865
Molweight60.12
LogP0.6
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationthioethers heterocyclic compounds thiiranes sulfur compounds
CHEBI-ID30977

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)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


2,3-dimethylthiirane

Compound Details

Synonymous names
2,3-Dimethylthiirane
cis-Dimethylthiirane
Thiirane, 2,3-dimethyl-, (2R,3R)-rel-
dimethylthiirane
2,3-Dimethyl-thiirane (Z)
DTXSID70863664
Microorganism:

Yes

IUPAC name2,3-dimethylthiirane
SMILESCC1C(S1)C
InchiInChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3
FormulaC4H8S
PubChem ID521888
Molweight88.17
LogP1.5
Atoms5
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationsulfur compounds thiiranes thioethers heterocyclic compounds
Supernatural-IDSN0474312

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes