Results for:
PubChem ID: 20995

2-pentylthiophene

Mass-Spectra

Compound Details

Synonymous names	2-PENTYLTHIOPHENE 4861-58-9 2-n-Pentylthiophene Thiophene, 2-pentyl- 2-n-Amylthiophene 2-pentyl-thiophene 1-Methylbutylthiophene L79LOS1ZKM MFCD00041017 2-Amylthiophene C9H14S UNII-L79LOS1ZKM EINECS 225-465-9 SCHEMBL176020 2-Pentylthiophene, AldrichCPR DTXSID8063628 FEMA NO. 4387 CHEBI:89509 2-PENTYLTHIOPHENE [FHFI] AKOS006230222 DS-4807 MCULE-5834588939 SB66868 SY034123 DB-030431 CS-0128837 NS00022222 P1835 EN300-88036 F15453 A827569 W-106046 Q27161703
Microorganism:	Yes
IUPAC name	2-pentylthiophene
SMILES	CCCCCC1=CC=CS1
Inchi	InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
Formula	C9H14S
PubChem ID	20995
Molweight	154.27
LogP	4.3
Atoms	10
Bonds	4
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	aromatic compounds sulfur compounds heterocyclic compounds thioethers
CHEBI-ID	89509
Supernatural-ID	SN0251427

mVOC Specific Details

Boiling Point	Degree Reference 96 median
MS-Links	MS-MS Spectrum 86643 MS-MS Spectrum 86645 MS-MS Spectrum 148989 MS-MS Spectrum 148990 MS-MS Spectrum 148991 MS-MS Spectrum 86644
1D-NMR-Links	1D NMR Spectrum 4477 1D NMR Spectrum 4605
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007776

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Serratia Proteamaculans n/a NA Ercolini et al. 2009 Prokaryota Carnobacterium Divergens n/a NA Ercolini et al. 2009 Prokaryota Pseudomonas Fragi n/a NA Ercolini et al. 2009 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Eukaryota Cryptococcus Nemorosus NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Andauensis NA NA Ljunggren et al. 2019

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Serratia Proteamaculans n/a n/a no Prokaryota Carnobacterium Divergens n/a n/a no Prokaryota Pseudomonas Fragi n/a n/a no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Eukaryota Cryptococcus Nemorosus liquid YPD medium GC-MS no Eukaryota Metschnikowia Andauensis liquid YPD medium GC-MS no