1.0 2010-04-08 22:14:42 UTC 2019-11-26 03:18:10 UTC FDB019955 2-Pentylthiophene Cysteine-derived Maillard product. Constituent of cooked pork, beef or lamb, yeast extract and ripe bell peppers. 2-Pentylthiophene is found in mushrooms, herbs and spices, and animal foods. 1-Methylbutylthiophene 2-n-Amylthiophene 2-n-Pentylthiophene 2-Pentyl-thiophene Thiophene, 2-pentyl- C9H14S 154.272 154.081621138 2-pentylthiophene 2-pentylthiophene 4861-58-9 CCCCCC1=CC=CS1 InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 NOYVOSGVFSEKPR-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Hydrocarbon derivatives Thiophenes Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Thiophene logp 4.39 ALOGPS logs -3.44 ALOGPS solubility 5.67e-02 g/l ALOGPS logp 4.18 ChemAxon iupac 2-pentylthiophene ChemAxon average_mass 154.272 ChemAxon mono_mass 154.081621138 ChemAxon smiles CCCCCC1=CC=CS1 ChemAxon formula C9H14S ChemAxon inchi InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 ChemAxon inchikey NOYVOSGVFSEKPR-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 46.55 ChemAxon polarizability 18.76 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8829 Specdb::MsIr 8830 Specdb::CMs 3430 Specdb::CMs 28916 Specdb::CMs 102089 Specdb::CMs 136644 Specdb::CMs 144378 Specdb::NmrOneD 4477 Specdb::NmrOneD 4605 Specdb::NmrOneD 246348 Specdb::NmrOneD 246349 Specdb::NmrOneD 246350 Specdb::NmrOneD 246351 Specdb::NmrOneD 246352 Specdb::NmrOneD 246353 Specdb::NmrOneD 246354 Specdb::NmrOneD 246355 Specdb::NmrOneD 246356 Specdb::NmrOneD 246357 Specdb::NmrOneD 246358 Specdb::NmrOneD 246359 Specdb::NmrOneD 246360 Specdb::NmrOneD 246361 Specdb::NmrOneD 246362 Specdb::NmrOneD 246363 Specdb::NmrOneD 246364 Specdb::NmrOneD 246365 Specdb::NmrOneD 246366 Specdb::NmrOneD 246367 Specdb::MsMs 86643 Specdb::MsMs 86644 Specdb::MsMs 86645 Specdb::MsMs 148989 Specdb::MsMs 148990 Specdb::MsMs 148991 Specdb::MsMs 2662909 Specdb::MsMs 2662910 Specdb::MsMs 2662911 Specdb::MsMs 3016062 Specdb::MsMs 3016063 Specdb::MsMs 3016064 HMDB40240 #<Reference:0x000055ce323d28a8> Common mushroom Type 1 specific Agaricus bisporus 5341 Herbs and Spices Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 cranberry fatty fruit fruity sweet