Furfuryl mercaptan formate

C₆H₆O₂SCAS 59020-90-5142.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆O₂S
Molar mass: 142.17 g/mol
Exact mass: 142.0089 Da
logP: 1.70Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed93.5% of notifiers

Aggregated from 1,376 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

59020-90-5

SMILES

O=CSCc1ccco1

InChIKey

GFAOAYJTEVHTLA-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

S-(2-Furanylmethyl) methanethioate
Methanethioic acid, S-(2-furanylmethyl) ester

Work with Furfuryl mercaptan formate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Difurfuryl sulfide13678-67-657 % similar Difurfuryl disulfide4437-20-157 % similar 2-[(Methylthio)methyl]furan1438-91-152 % similar Furfuryl methyl disulfide57500-00-248 % similar Furfurylthiol acetate13678-68-747 % similar 2-[[(1-Methylethyl)thio]methyl]furan1883-78-947 % similar 2-Ethylfuran3208-16-047 % similar Methyl (2-furfurylthio)acetate108499-33-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Ethylenedioxythiophene126213-50-1 Methyl 2-thiofuroate13679-61-3 4-Methyl-2-thiophenecarboxylic acid14282-78-1 Thiophene-2-acetic acid1918-77-0 5-Methyl-2-thiophenecarboxylic acid1918-79-2 Methyl 3-thiophenecarboxylate22913-26-4 3-Methyl-2-thiophenecarboxylic acid23806-24-8 3-Methoxythiophene-2-carbaldehyde35134-07-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook