Thiophenol

C6H6SCAS 108-98-5110.17 g/mol

HS
Thiol

Properties

Molecular formula
C6H6S
Molar mass
110.17 g/mol
Exact mass
110.0190 Da
Density
1.0728 g/mL (at 25 °C)
Melting point
−14.9 °C
Boiling point
168.3 °C
pKa
6.62
Flash point
50 °C (closed cup)
Water solubility
835 mg/L (25 °C)
logP
1.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,653 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
108-98-5
SMILES
Sc1ccccc1
InChIKey
RMVRSNDYEFQCLF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

Weigh it out

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

Names and synonyms

7 names
  • Benzenethiol
  • Phenol, thio-
  • Phenyl mercaptan
  • Mercaptobenzene
  • Phenylthiol
  • NSC 6953
  • Phenyl hydrosulfide

Reactions

Work with Thiophenol

Similar compounds

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

Same formula

Elsewhere