chempirical

Benzoylthiourea

C8H8N2OSCAS 614-23-3180.22 g/mol

Open in Covalent MOL file
HNHSNHO
Thiol

Properties

Molecular formula
C8H8N2OS
Molar mass
180.22 g/mol
Exact mass
180.0357 Da
Melting point
171–172 °C
logP
1.86Crippen estimate
Polar surface area
56.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
614-23-3
SMILES
N=C(S)N=C(O)c1ccccc1
InChIKey
DQMWMUMCNOJLSI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)

Weigh it out

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

Names and synonyms

8 names
  • Benzamide, N-(aminothioxomethyl)-
  • Urea, 1-benzoyl-2-thio-
  • N-(Aminothioxomethyl)benzamide
  • 1-Benzoyl-2-thiourea
  • N-Benzoylthiourea
  • Necacyl
  • 1-Benzoylthiourea
  • NSC 5784

Work with Benzoylthiourea

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

N-[(Phenylamino)thioxomethyl]benzamide4921-82-858 % similar Dibenzoylhydrazine787-84-852 % similar Benzanilide93-98-148 % similar N-Benzylbenzamide1485-70-747 % similar N-Methylbenzamide613-93-447 % similar Benzoylhydrazine613-94-547 % similar N-(Hydroxymethyl)benzamide6282-02-644 % similar Thiobenzamide2227-79-442 % similar

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

Same formula

2-Amino-6-methoxybenzothiazole1747-60-0 2-Mercapto-5-methoxybenzimidazole37052-78-1 5-Methoxy-2-benzothiazolamine54346-87-1 4-Methoxy-2-benzothiazolamine5464-79-9

Elsewhere

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