Results for:
PubChem ID: 8030

Thiophene

Mass-Spectra

Compound Details

Synonymous names
Thiacyclopentadiene
Polythiophene
Thiofurfuran
Thiotetrole
Divinylene sulfide
Thiaphene
Thiofuram
Thiofuran
Thiophen
THIOPHENE
YTPLMLYBLZKORZ-UHFFFAOYSA-N
Thiofen
Thiole
Thiophene, homopolymer
Thiophene, analytical standard
Hopkin's lactic acid reagent
Huile HSO
2H-Thiolium
ACMC-1BRPF
Thiophene-3-radical cation
AC1L1Q3R
Huile H50
SMB37IQ40B
KSC175A4B
Thiofen [Czech]
Thiophene, >=99%
CP 34
UN2414
UNII-SMB37IQ40B
WLN: T5SJ
Furan, thio-
HSDB 130
CHEMBL278958
LS-496
RP18424
CCRIS 2935
LTBB001350
DTXSID8026145
HE019456
HE295009
HE328859
NSC405073
UN 2414
2,5-Dihydrothiophene-5-ylium
A802127
A802128
CHEBI:30856
DSSTox_CID_6145
ZINC1597767
AN-42979
CJ-05657
CJ-25644
DSSTox_GSID_26145
KB-61666
SC-19095
TL8000314
TRA0002268
USAF EK-1860
DSSTox_RID_78034
MFCD00005413
ZINC01597767
AI3-15417
DB-038045
NSC 405073
NSC-405073
RTR-002111
AKOS000120157
poly(thiophene-2,5-diyl)
Q-100055
S09-0120
BRN 0103222
FT-0631612
Thiophene, 99% 50g
Tox21_200002
110-02-1
F0001-0214
8014-23-1
MCULE-5759025979
NCGC00091806-01
NCGC00091806-02
NCGC00257556-01
POLY(THIOPHENE-2,5-DIYL), BR TERMINATED
CAS-110-02-1
EINECS 203-729-4
Thiophene [UN2414] [Flammable liquid]
25233-34-5
EC 203-729-4
6014-EP0930075A1
6014-EP2269978A2
6014-EP2269985A2
6014-EP2269990A1
6014-EP2269991A2
6014-EP2270002A1
6014-EP2270004A1
6014-EP2270006A1
6014-EP2270010A1
6014-EP2270113A1
6014-EP2270114A1
6014-EP2270505A1
6014-EP2272509A1
6014-EP2272517A1
6014-EP2272537A2
6014-EP2272813A2
6014-EP2272827A1
6014-EP2272832A1
6014-EP2272849A1
6014-EP2272935A1
6014-EP2272972A1
6014-EP2272973A1
6014-EP2275395A2
6014-EP2275401A1
6014-EP2275409A1
6014-EP2275412A1
6014-EP2276085A1
6014-EP2277858A1
6014-EP2277872A1
6014-EP2277874A1
6014-EP2280000A1
6014-EP2280009A1
6014-EP2281563A1
6014-EP2281818A1
6014-EP2281824A1
6014-EP2283898A1
6014-EP2284149A1
6014-EP2284150A2
6014-EP2284151A2
6014-EP2284152A2
6014-EP2284153A2
6014-EP2284155A2
6014-EP2284156A2
6014-EP2284157A1
6014-EP2284164A2
6014-EP2284174A1
6014-EP2284920A1
6014-EP2287140A2
6014-EP2287148A2
6014-EP2287150A2
6014-EP2287165A2
6014-EP2287166A2
6014-EP2287167A1
6014-EP2288598A1
6014-EP2289871A1
6014-EP2289890A1
6014-EP2292586A2
6014-EP2292590A2
6014-EP2292592A1
6014-EP2292593A2
6014-EP2292597A1
6014-EP2292604A2
6014-EP2292611A1
6014-EP2292613A1
6014-EP2292620A2
6014-EP2292630A1
6014-EP2295402A2
6014-EP2295406A1
6014-EP2295419A2
6014-EP2295421A1
6014-EP2295426A1
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6014-EP2295432A1
6014-EP2295433A2
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6014-EP2298731A1
6014-EP2298732A1
6014-EP2298743A1
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6014-EP2298767A1
6014-EP2298770A1
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6014-EP2298776A1
6014-EP2298778A1
6014-EP2298828A1
6014-EP2300430A1
6014-EP2301534A1
6014-EP2301536A1
6014-EP2301538A1
6014-EP2301912A2
6014-EP2301913A1
6014-EP2301914A1
6014-EP2301916A2
6014-EP2301918A1
6014-EP2301936A1
6014-EP2301983A1
6014-EP2302015A1
6014-EP2305219A1
6014-EP2305250A1
6014-EP2305254A1
6014-EP2305637A2
6014-EP2305643A1
6014-EP2305648A1
6014-EP2305651A1
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6014-EP2305658A1
6014-EP2305659A1
6014-EP2305671A1
6014-EP2305677A1
6014-EP2305685A1
6014-EP2305686A1
6014-EP2305687A1
6014-EP2305688A1
6014-EP2305695A2
6014-EP2305696A2
6014-EP2305697A2
6014-EP2305698A2
6014-EP2305769A2
6014-EP2308510A1
6014-EP2308562A2
6014-EP2308812A2
6014-EP2308832A1
6014-EP2308833A2
6014-EP2308848A1
6014-EP2308849A1
6014-EP2308850A1
6014-EP2308854A1
6014-EP2308863A1
6014-EP2308880A1
6014-EP2308882A1
6014-EP2308926A1
6014-EP2309564A1
6014-EP2311451A1
6014-EP2311455A1
6014-EP2311796A1
6014-EP2311797A1
6014-EP2311798A1
6014-EP2311799A1
6014-EP2311801A1
6014-EP2311802A1
6014-EP2311803A1
6014-EP2311811A1
6014-EP2311825A1
6014-EP2311826A2
6014-EP2311828A1
6014-EP2311830A1
6014-EP2311842A2
6014-EP2313399A1
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6014-EP2314574A1
6014-EP2314575A1
6014-EP2314581A1
6014-EP2314582A1
6014-EP2314583A1
6014-EP2314587A1
6014-EP2315303A1
6014-EP2315502A1
6014-EP2316450A1
6014-EP2316452A1
6014-EP2316459A1
6014-EP2316470A2
6014-EP2316831A1
6014-EP2316832A1
6014-EP2316833A1
6014-EP2316905A1
6014-EP2316906A2
6014-EP2316974A1
6014-EP2371810A1
6014-EP2371811A2
6014-EP2371812A1
6014-EP2371813A1
6014-EP2371831A1
6014-EP2372804A1
6014-EP2378585A1
6014-EP2380867A1
MolPort-000-165-813
Thiophene [UN2414] [Flammable liquid]
28237-EP2292592A1
28237-EP2295439A1
28237-EP2305671A1
28237-EP2305685A1
28237-EP2308876A1
28237-EP2313399A1
28237-EP2371814A1
133937-EP2272972A1
133937-EP2272973A1
133937-EP2277872A1
133937-EP2295503A1
142237-EP2270010A1
142237-EP2292593A2
InChI=1/C4H4S/c1-2-4-5-3-1/h1-4
Microorganism:

Yes

IUPAC namethiophene
SMILESC1=CSC=C1
InchiInChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
FormulaSCH=CHCH=CH
PubChem ID8030
Molweight84.14
LogP1.75
Atoms9
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationThiophenes thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for thiophene is estimated as 2.9X10-3 atm-cu m/mole(SRC) from its experimental value for vapor pressure, 79.7 mm Hg(1), and experimental water solubility, 3,020 mg/l(2). This value indicates that thiophene will volatilize from water surfaces(3,SRC). 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) is estimated as approximately 3 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 89 hours(3,SRC). Thiophene's Henry's Law constant(SRC) and vapor pressure indicates that volatilization from moist and dry soil surfaces is important(SRC).
Literature: (1) Boublik et al; The Vapor Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapor Pressures of Some Pure Substances in the Normal and Low Temperature Region. Vol 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility Ver 5. Univ Ariz Tucson AR (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of thiophene is estimated as approximately 230(SRC), using a measured log Kow of 1.81(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that thiophene is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
79.7 mm Hg @ 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links

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