1.0 2010-04-08 22:04:45 UTC 2020-02-24 19:10:16 UTC FDB000911 2-Thiophenecarboxaldehyde Flavour ingredient α-formylthiophene α-thiophenecarboxaldehyde 2-Carboxaldehyde-thiophene 2-Formylthiophene 2-Thienal 2-Thienaldehyde 2-Thienylaldehyde 2-Thienylcarboxaldehyde 2-Thiophenaldehyde 2-thiophencarboxaldehyde 2-thiophene carboxyaldehyde 2-Thiophenealdehyde 2-Thiophenecarbaldehyde 2-thiophenic aldehyde a-Thenaldehyde alpha -Formylthiophene alpha -Thiophenecarboxaldehyde Alpha-formylthiophene Alpha-thiophenecarboxaldehyde Thenaldehyde thiophen-2-carboxaldehyde Thiophene-2-aldehyde Thiophene-2-carbaldehyde Thiophene-2-carboxaldehyde Thiophenecarboxaldehyde C5H4OS 112.15 111.99828544 thiophene-2-carbaldehyde thiophene-2-carboxaldehyde 98-03-3 O=CC1=CC=CS1 InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H CNUDBTRUORMMPA-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Aryl-aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Thiophenes Aromatic heteromonocyclic compound Aryl-aldehyde Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Thiophene aldehyde thiophenes logp 1.00 ALOGPS logs -1.93 ALOGPS solubility 1.31e+00 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac thiophene-2-carbaldehyde ChemAxon average_mass 112.15 ChemAxon mono_mass 111.99828544 ChemAxon smiles O=CC1=CC=CS1 ChemAxon formula C5H4OS ChemAxon inchi InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H ChemAxon inchikey CNUDBTRUORMMPA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 29.53 ChemAxon polarizability 10.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2467 Specdb::CMs 29444 Specdb::CMs 100427 Specdb::CMs 146308 Specdb::MsIr 3625 Specdb::MsIr 3626 Specdb::MsMs 81138 Specdb::MsMs 81139 Specdb::MsMs 81140 Specdb::MsMs 142176 Specdb::MsMs 142177 Specdb::MsMs 142178 Specdb::MsMs 2465793 Specdb::MsMs 2465794 Specdb::MsMs 2465795 Specdb::MsMs 2497250 Specdb::MsMs 2497251 Specdb::MsMs 2497252 Specdb::NmrOneD 159130 Specdb::NmrOneD 159131 Specdb::NmrOneD 159132 Specdb::NmrOneD 159133 Specdb::NmrOneD 159134 Specdb::NmrOneD 159135 Specdb::NmrOneD 159136 Specdb::NmrOneD 159137 Specdb::NmrOneD 159138 Specdb::NmrOneD 159139 Specdb::NmrOneD 159140 Specdb::NmrOneD 159141 Specdb::NmrOneD 159142 Specdb::NmrOneD 159143 Specdb::NmrOneD 159144 Specdb::NmrOneD 159145 Specdb::NmrOneD 159146 Specdb::NmrOneD 159147 Specdb::NmrOneD 159148 Specdb::NmrOneD 159149 HMDB29717 #<Reference:0x000055ce3257f200> Asparagus Type 1 specific Asparagus officinalis 4686 sulfur sulfurous