2,2′-Diphenylcarbonothioic dihydrazide

C₁₃H₁₄N₄SCAS 622-03-7258.34 g/mol

Open in Covalent MOL file

Hydrazone Secondary amine Thiol

Properties

Molecular formula: C₁₃H₁₄N₄S
Molar mass: 258.34 g/mol
Exact mass: 258.0939 Da
Density: 1.27 g/mL
Melting point: above 140 °C
logP: 2.92Crippen estimate
Polar surface area: 48.5 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 4

Identifiers

CAS number

622-03-7

SMILES

SC(=NNc1ccccc1)NNc1ccccc1

InChIKey

BNSNUHPJRKTRNT-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)

Weigh it out

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

Names and synonyms

6 names

Carbonothioic dihydrazide, 2,2′-diphenyl-
Carbohydrazide, 1,5-diphenyl-3-thio-
Diphenylthiocarbazide
1,5-Diphenylthiocarbohydrazide
NSC 688
1,3-Dianilinothiourea

Work with 2,2′-Diphenylcarbonothioic dihydrazide

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

Diphenylcarbazide140-22-758 % similar Phenylthiosemicarbazide645-48-748 % similar Dithizone60-10-646 % similar Thiocarbanilide102-08-943 % similar Acetylphenylhydrazine114-83-043 % similar N-Methyl-N′-phenylthiourea2724-69-843 % similar Hydrazobenzene122-66-741 % similar 1-Phenylsemicarbazide103-03-740 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook