chempirical

4-Aminobenzenecarbothioamide

C7H8N2SCAS 4714-67-4152.22 g/mol

Open in Covalent MOL file
H2NSNH2
Primary amine

Properties

Molecular formula
C7H8N2S
Molar mass
152.22 g/mol
Exact mass
152.0408 Da
Melting point
188 °C
logP
0.90Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
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
4714-67-4
SMILES
NC(=S)c1ccc(N)cc1
InChIKey
LZJVSPPXXGXGQL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Benzenecarbothioamide, 4-amino-
  • Benzamide, p-aminothio-
  • p-Aminobenzothiamide
  • 4-Aminothiobenzamide
  • NSC 18337

Work with 4-Aminobenzenecarbothioamide

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-Fluorothiobenzamide22179-72-258 % similar 4-Methylbenzenecarbothioamide2362-62-158 % similar 4-Chlorothiobenzamide2521-24-658 % similar 4-Hydroxythiobenzamide25984-63-858 % similar 4-Bromothiobenzamide26197-93-358 % similar 4-Pyridinecarbothioamide2196-13-654 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-654 % similar Tetrakis(4-aminophenyl)ethene78525-34-552 % similar

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

Same formula

Phenylthiocarbamide103-85-5 2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine36267-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook