Results for:
PubChem ID: 7221

1-benzothiophene

Mass-Spectra

Compound Details

Synonymous names
Benzo[b]thiophene
Thianaphthene
1-Benzothiophene
95-15-8
BENZOTHIOPHENE
Benzothiofuran
Thionaphthene
1-Thiaindene
Thianaphtene
Thianaphthen
1-benzothiophen
BENZO(B)THIOPHENE
Benzothiophen
Benzothiophene-5-D
2,3-Benzothiophene
11095-43-5
Benzo[b]thiophene-D6
MFCD00005864
NSC 47196
CHEMBL87112
CHEBI:35858
NSC-47196
073790YQ2G
13730-27-3
C8H6S
Thianaftene
Thianapthene
UNII-073790YQ2G
hydrobenzothiophene
benzo[b]-thiophene
EINECS 202-395-7
Thianaphthene, 95%
Thianaphthene, 98%
AI3-15523
THIANAPHTHENE [MI]
SCHEMBL7023
BIDD:GT0845
DTXSID2052736
CS-D1193
NSC47196
BDBM50167948
GEO-00284
MFCD31699976
STK053859
AKOS005258172
MCULE-7277751906
PS-5775
SY246286
AM20041456
B0093
NS00020042
EN300-36787
A845195
A847764
Q419709
Q-100899
F0001-2267
Z370711590
InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6
Microorganism:

Yes

IUPAC name1-benzothiophene
SMILESC1=CC=C2C(=C1)C=CS2
InchiInChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
FormulaC8H6S
PubChem ID7221
Molweight134.2
LogP3.1
Atoms9
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids heterocyclic compounds sulfur compounds aromatic compounds
CHEBI-ID35857
Supernatural-IDSN0081749

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
EukaryotaTuber BrumaleFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
EukaryotaTuber Brumalemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes