1.0
2010-04-08 22:12:41 UTC
2015-07-20 23:33:31 UTC
FDB016861
S-(2-Furanylmethyl) methanethioate
Flavouring ingredient
2-Furanmethanethiol formate
3-(2-Furanylmethyl) methanethioate
FEMA 3158
Furfuryl mercaptan formate
Furfuryl thioformate
Furfurylthiol formate
Methanethioic acid, 3-(2-furanylmethyl) ester
Methanethioic acid, S-(2-furanylmethyl) ester
S-(2-Furanylmethyl) methanethioate
S-(2-Furylmethyl) methanethioate
C6H6O2S
142.176
142.008850126
[(furan-2-ylmethyl)sulfanyl]carbaldehyde
(furan-2-ylmethyl)sulfanylcarbaldehyde
59020-90-5
O=CSCC1=CC=CO1
InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
GFAOAYJTEVHTLA-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
Carbonyl compounds
Carbothioic S-esters
Carboxylic acids and derivatives
Furans
Hydrocarbon derivatives
Organic oxides
Oxacyclic compounds
Sulfenyl compounds
Thioesters
Aromatic heteromonocyclic compound
Carbonyl group
Carbothioic s-ester
Carboxylic acid derivative
Furan
Heteroaromatic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Organosulfur compound
Oxacycle
Sulfenyl compound
Thiocarboxylic acid ester
Thiocarboxylic acid or derivatives
logp
0.59
logs
-1.68
solubility
3.00e+00 g/l
logp
1.15
pka_strongest_basic
-3.3
iupac
[(furan-2-ylmethyl)sulfanyl]carbaldehyde
average_mass
142.176
mono_mass
142.008850126
smiles
O=CSCC1=CC=CO1
formula
C6H6O2S
inchi
InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
inchikey
GFAOAYJTEVHTLA-UHFFFAOYSA-N
polar_surface_area
30.21
refractivity
36.42
polarizability
13.89
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
16147
Specdb::CMs
132646
Specdb::CMs
140380
Specdb::MsIr
7637
Specdb::MsIr
7638
Specdb::NmrOneD
22682
Specdb::NmrOneD
22683
Specdb::NmrOneD
22684
Specdb::NmrOneD
22685
Specdb::NmrOneD
22686
Specdb::NmrOneD
22687
Specdb::NmrOneD
22688
Specdb::NmrOneD
22689
Specdb::NmrOneD
22690
Specdb::NmrOneD
22691
Specdb::NmrOneD
22692
Specdb::NmrOneD
22693
Specdb::NmrOneD
22694
Specdb::NmrOneD
22695
Specdb::NmrOneD
22696
Specdb::NmrOneD
22697
Specdb::NmrOneD
22698
Specdb::NmrOneD
22699
Specdb::NmrOneD
22700
Specdb::NmrOneD
22701
Specdb::MsMs
65856
Specdb::MsMs
65857
Specdb::MsMs
65858
Specdb::MsMs
123303
Specdb::MsMs
123304
Specdb::MsMs
123305
Specdb::MsMs
2323570
Specdb::MsMs
2323571
Specdb::MsMs
2323572
Specdb::MsMs
2615085
Specdb::MsMs
2615086
Specdb::MsMs
2615087
HMDB37731
#<Reference:0x0000555673c89668>
butterscotch
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