2-(Phenylthio)ethanol
Properties
- Molecular formula
- C8H10OS
- Molar mass
- 154.23 g/mol
- Exact mass
- 154.0452 Da
- Density
- 1.1145 g/mL (at 24 °C)
- Boiling point
- 120–199 °C (at 4 Torr)
- logP
- 1.77Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
699-12-7SMILES
OCCSc1ccccc1InChIKey
KWWZHCSQVRVQGF-UHFFFAOYSA-NInChI
InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Ethanol, 2-(phenylthio)-
- 2-Hydroxyethyl phenyl sulfide
- β-Phenylthioethyl alcohol
- 2-Phenylsulfanylethanol
- NSC 57851
- Phenyl 2-hydroxyethyl sulfide
- 2-(Phenylsulfanyl)ethan-1-ol
Work with 2-(Phenylthio)ethanol
Similar compounds
1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-867 % similar
2-Chloroethyl phenyl sulfide5535-49-954 % similar
1,1′-[Methylenebis(thio)]bis[benzene]3561-67-952 % similar
2-[(Phenylmethyl)thio]ethanol3878-41-950 % similar
2-[(4-Nitrophenyl)thio]ethanol13287-76-848 % similar
3,5-Dichlorophenyl thioethanol101079-86-148 % similar
Ethyl phenyl sulfide622-38-846 % similar
Chloromethyl phenyl sulphide7205-91-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.