3-Amino-4-(methylthio)benzotrifluoride
Properties
- Molecular formula
- C8H8F3NS
- Molar mass
- 207.21 g/mol
- Exact mass
- 207.0330 Da
- logP
- 3.01Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed83.3% of notifiers
- H312 Harmful in contact with skin83.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled83.3% of notifiers
Aggregated from 6 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, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
207974-07-0SMILES
CSC1=C(C=C(C=C1)C(F)(F)F)NInChIKey
OQFOLJGOVFYDHZ-UHFFFAOYSA-NInChI
InChI=1S/C8H8F3NS/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-4-(methylthio)benzotrifluoride
Similar compounds
3,4-Diaminobenzotrifluoride368-71-858 % similar
2-Methyl-5-(trifluoromethyl)aniline25449-96-156 % similar
2,5-Bis(trifluoromethyl)aniline328-93-855 % similar
2-Fluoro-5-(trifluoromethyl)aniline535-52-453 % similar
2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar
2-Iodo-5-(trifluoromethyl)aniline105202-02-651 % similar
2-Chloro-5-(trifluoromethyl)aniline121-50-651 % similar
2-Bromo-5-trifluoromethylaniline454-79-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.