2-Methyl-3-furanthiol

C₅H₆OSCAS 28588-74-1114.16 g/mol

Open in Covalent MOL file

Thiol

Properties

Molecular formula: C₅H₆OS
Molar mass: 114.16 g/mol
Exact mass: 114.0139 Da
Density: 1.141–1.15 g/mL
logP: 1.88Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H330 Fatal if inhaled97.5% of notifiers

Aggregated from 1,707 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

28588-74-1

SMILES

Cc1occc1S

InChIKey

RUYNUXHHUVUINQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3

Weigh it out

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

Names and synonyms

5 names

3-Furanthiol, 2-methyl-
2-Methyl-3-mercaptofuran
2-Methyl-3-furylthiol
Oxycyclothione 030
3-Mercapto-2-methylfuran

Work with 2-Methyl-3-furanthiol

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

2,3-Dimethylfuran14920-89-950 % similar Bis(2-methyl-3-furyl) disulfide28588-75-246 % similar 3,3′-Tetrathiobis[2-methylfuran]28588-76-343 % similar 2-Methyl-3-(methylthio)furan63012-97-543 % similar 2-Methyl-3-(methyldithio)furan65505-17-140 % similar 2,5-Dimethyl-3-furanthiol55764-23-339 % similar Maltol118-71-839 % similar 2-Methyl-3-furancarboxylic acid6947-94-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxythiophene16839-97-7 3-Methoxythiophene17573-92-1 2-Thiophenemethanol636-72-6 Thiophene-3-methanol71637-34-8 Furan-2-ylmethanethiol98-02-2

Elsewhere

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