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

C9H7F6N3SCAS 38901-31-4303.23 g/mol

Open in Covalent MOL file
H2NNHHSNFFFFFF
Alkyl halidePrimary amineThiol

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 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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)

Weigh it out

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

Names and synonyms

4 names
  • N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide
  • 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 1,3,5-Tris(trifluoromethyl)benzene729-81-743 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride36068-40-343 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-342 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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