N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide

C₉H₇F₆N₃SCAS 38901-31-4303.23 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Thiol

Properties

Molecular formula: C₉H₇F₆N₃S
Molar mass: 303.23 g/mol
Exact mass: 303.0265 Da
Melting point: 156–158 °C
logP: 3.10Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

38901-31-4

SMILES

NNC(S)=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

NCYLHRNUKHCMDE-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F6N3S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(19)18-16/h1-3H,16H2,(H2,17,18,19)

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

Names and synonyms

3 names

Hydrazinecarbothioamide, N-[3,5-bis(trifluoromethyl)phenyl]-
4-(3,5-Ditrifluoromethylphenyl)-3-thiosemicarbazide
1-Amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

Work with N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide

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

4-Phenylthiosemicarbazide5351-69-953 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-145 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-942 % similar 3,5-Bis(trifluoromethyl)benzohydrazide26107-82-441 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-341 % similar 3,5-Bis(trifluoromethyl)phenyl isocyanate16588-74-241 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-040 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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