Thiophen-2-ol

C₄H₄OSCAS 17236-58-7100.13 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₄H₄OS
Molar mass: 100.13 g/mol
Exact mass: 99.9983 Da
logP: 1.45Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17236-58-7

SMILES

C1=CSC(=C1)O

InChIKey

WZMPOCLULGAHJR-UHFFFAOYSA-N

InChI

InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5H

Weigh it out

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

Names and synonyms

8 names

Thiophene-2-ol
Hydroxythiophene
2-Thiopheneol
3s-Hydroxythiophene
Hydroxythiophen
Thienyl alcohol
2-Thiophenol
2-Hydroxy-thiophene

Reactions

2-HYDROXYTHIOPHENE (Thiophene-2-ol and 2(5H)-thiophenone)product

Work with Thiophen-2-ol

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-Thiophenemethanol636-72-646 % similar 2-Chlorothiophene96-43-545 % similar 2,2′-Bithiophene492-97-745 % similar 2-Thiophenethiol7774-74-541 % similar 2-Thienylboronic acid6165-68-040 % similar 2-Bromothiophene1003-09-439 % similar Tris(2-thienyl)phosphine24171-89-939 % similar 2-Iodothiophene3437-95-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook