2,5-Dimethyl-3-furanthiol

C₆H₈OSCAS 55764-23-3128.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈OS
Molar mass: 128.19 g/mol
Exact mass: 128.0296 Da
Density: 1.138–1.144 g/mL
logP: 2.19Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor> 99.9% of notifiers
H302 Harmful if swallowed100% of notifiers

Aggregated from 1,548 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number

55764-23-3

SMILES

Cc1cc(S)c(C)o1

InChIKey

DBBHCZMXKBCICL-UHFFFAOYSA-N

InChI

InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3

Weigh it out

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

Names and synonyms

3 names

3-Furanthiol, 2,5-dimethyl-
2,5-Dimethyl-3-mercaptofuran
3-Mercapto-2,5-dimethylfuran

Work with 2,5-Dimethyl-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

3-Acetyl-2,5-dimethylfuran10599-70-941 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-739 % similar 2,5-Dimethyl-3-furancarboxylic acid636-44-239 % similar 2-Methyl-3-furanthiol28588-74-139 % similar 2,6-Dimethyl-γ-pyrone1004-36-037 % similar 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-733 % similar 2,5-Dimethylfuran625-86-533 % similar 4,6-Dimethylcoumalin675-09-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-(methylthio)furan13678-59-6 3-Thiopheneethanol13781-67-4 2-[(Methylthio)methyl]furan1438-91-1 (1S)-1-(Thiophen-2-yl)ethan-1-ol27948-39-6 2-Thiopheneethanol5402-55-1 2-Methyl-3-(methylthio)furan63012-97-5 (1R)-1-(2-Thienyl)ethanol86527-10-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook