chempirical

2-Naphthalenethiol

C10H8SCAS 91-60-1160.23 g/mol

Open in Covalent MOL file
HS
Thiol

Properties

Molecular formula
C10H8S
Molar mass
160.23 g/mol
Exact mass
160.0347 Da
Melting point
81 °C
Boiling point
288 °C
logP
3.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
91-60-1
SMILES
Sc1ccc2ccccc2c1
InChIKey
RFCQDOVPMUSZMN-UHFFFAOYSA-N
InChI
InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

Weigh it out

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

Names and synonyms

11 names
  • RPA 2
  • 2-Mercaptonaphthalene
  • β-Naphthyl mercaptan
  • 2-Naphthyl mercaptan
  • β-Thionaphthol
  • β-Mercaptonaphthalene
  • β-Naphthalenethiol
  • 2-Thionaphthol
  • Vulcamel TBN
  • Renacit 1
  • NSC 4749

Work with 2-Naphthalenethiol

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

2,2′-Binaphthalene612-78-250 % similar 1,3-Benzenedithiol626-04-048 % similar Anthracene120-12-747 % similar Pentacene135-48-845 % similar Tetracene92-24-045 % similar 2-Naphthol135-19-344 % similar 2-Fluoronaphthalene323-09-144 % similar N-2-Naphthalenyl-2-naphthalenamine532-18-344 % similar

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

Same formula

3-Phenylthiophene2404-87-7 2-Phenylthiophene825-55-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia