3-(Trifluoromethyl)thiobenzamide
Properties
- Molecular formula
- C8H6F3NS
- Molar mass
- 205.20 g/mol
- Exact mass
- 205.0173 Da
- logP
- 2.34Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed16.7% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H302 Harmful if swallowed83.3% of notifiers
- H311 Toxic in contact with skin16.7% of notifiers
- H312 Harmful in contact with skin16.7% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H332 Harmful if inhaled83.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
53515-17-6SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=S)NInChIKey
WOJQBHSZMFRQIR-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Trifluoromethylthiobenzamide
Work with 3-(Trifluoromethyl)thiobenzamide
Similar compounds
3,3'-Bis(trifluoromethyl)benzophenone1868-00-458 % similar
3-Chloro-thiobenzamide2548-79-055 % similar
3-(Trifluoromethyl)benzoyl fluoride328-99-454 % similar
3-(Trifluoromethyl)benzamidoxime40067-80-954 % similar
3,5-Bis(trifluoromethyl)benzene402-31-354 % similar
3-Hydroxy-thiobenzamide104317-54-653 % similar
m-(Trifluoromethyl)benzamide1801-10-153 % similar
3-(Trifluoromethyl)benzoyl chloride2251-65-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.