1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea

C9H6F6N2SCAS 175277-17-5288.21 g/mol

Open in Covalent MOL file
FFFNHSNH2FFF
Alkyl halide

Properties

Molecular formula
C9H6F6N2S
Molar mass
288.21 g/mol
Exact mass
288.0156 Da
logP
3.38Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
175277-17-5
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)C(F)(F)F
InChIKey
CWRWOECVPKDZIC-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)

Weigh it out

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

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Trifluoromethyl)phenylthiourea1736-70-570 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-768 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-153 % similar 3,5-Dichlorophenylthiourea107707-33-552 % similar 3,5-Dimethylphenylthiourea97480-60-952 % similar 3',5'-Bis(trifluoromethyl)acetanilide16143-84-351 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-251 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook