3-(Trifluoromethylthio)phenol
Properties
- Molecular formula
- C7H5F3OS
- Molar mass
- 194.17 g/mol
- Exact mass
- 194.0013 Da
- logP
- 3.00Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3823-40-3SMILES
C1=CC(=CC(=C1)SC(F)(F)F)OInChIKey
FRSIRCKEPOPEFZ-UHFFFAOYSA-NInChI
InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(Trifluoromethylthio)phenol
Similar compounds
3-[(Trifluoromethyl)thio]benzenamine369-68-658 % similar
3-[(3-Hydroxyphenyl)disulfanyl]phenol21101-56-457 % similar
1-Bromo-3-[(trifluoromethyl)thio]benzene2252-45-156 % similar
[(Trifluoromethyl)thio]benzene456-56-454 % similar
3-(Trifluoromethyl)phenol98-17-947 % similar
Resorcinol108-46-346 % similar
4-(Trifluoromethylthio)bromobenzene333-47-144 % similar
1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-944 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds