Furan-2-ylmethanethiol

C₅H₆OSCAS 98-02-2114.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆OS
Molar mass: 114.16 g/mol
Exact mass: 114.0139 Da
Melting point: 157.5 °C
Boiling point: 157 °C
logP: 1.71Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor> 99.9% of notifiers

Aggregated from 1,702 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

98-02-2

SMILES

SCc1ccco1

InChIKey

ZFFTZDQKIXPDAF-UHFFFAOYSA-N

InChI

InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2

Weigh it out

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Names and synonyms

12 names

2-Furanmethanethiol
Furfuryl mercaptan
Furfuryl thiol
2-Furylmethyl mercaptan
2-Furylmethanethiol
2-(Mercaptomethyl)furan
(2-Furanyl)methylmercaptan
2-Furfurylmercaptan
NSC 41142
2-Furfurylthiol
Furfurylthiol
2-Furylmethylthiol

Reactions

2-FURFURYL MERCAPTAN (2-Furanmethanethiol)product

Work with Furan-2-ylmethanethiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Difurfuryl sulfide13678-67-652 % similar 2-Ethylfuran3208-16-052 % similar Difurfuryl disulfide4437-20-152 % similar 2-Furanmethanamine617-89-052 % similar Furfuryl alcohol98-00-052 % similar 2-Propylfuran4229-91-848 % similar 2-[(Methylthio)methyl]furan1438-91-146 % similar 1-Furfurylpyrrole1438-94-446 % similar

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

Same formula

2-Methoxythiophene16839-97-7 3-Methoxythiophene17573-92-1 2-Methyl-3-furanthiol28588-74-1 2-Thiophenemethanol636-72-6 3-Thiophenemethanol71637-34-8

Elsewhere

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