chempirical

3-Thiophenemethanol

C5H6OSCAS 71637-34-8114.16 g/mol

Open in Covalent MOL file
HOS
Alcohol

Properties

Molecular formula
C5H6OS
Molar mass
114.16 g/mol
Exact mass
114.0139 Da
Boiling point
106–115 °C (at 20 Torr)
logP
1.24Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
71637-34-8
SMILES
OCc1ccsc1
InChIKey
BOWIFWCBNWWZOG-UHFFFAOYSA-N
InChI
InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2

Weigh it out

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

Names and synonyms

6 names
  • 3-(Hydroxymethyl)thiophene
  • 3-Thienylcarbinol
  • 3-Thienylmethanol
  • Thiophene-3-ylmethanol
  • Thiophen-3-ylmethanol
  • 1-(Thiophen-3-yl)methanol

Work with 3-Thiophenemethanol

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-Ethylthiophene1795-01-352 % similar 3-Thiophenemethanamine27757-86-452 % similar Thiophene-3-acetic acid6964-21-248 % similar 1,4-Benzenedimethanol589-29-748 % similar 3-Thiopheneacetonitrile13781-53-846 % similar 3-Thiopheneacetic acid hydrazide175276-94-542 % similar Poly(3-hexylthiophene)104934-50-142 % similar 3-Dodecylthiophene104934-52-342 % 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 Furan-2-ylmethanethiol98-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook