1-Phenyl-2-thiobiuret

C8H9N3OSCAS 53555-72-9195.24 g/mol

Open in Covalent MOL file
NHSHNONH2
Urea

Properties

Molecular formula
C8H9N3OS
Molar mass
195.24 g/mol
Exact mass
195.0466 Da
logP
1.05Crippen estimate
Polar surface area
67.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
53555-72-9
SMILES
C1=CC=C(C=C1)NC(=S)NC(=O)N
InChIKey
JCUXEEBSEWQOTC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3OS/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)

Weigh it out

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

Names and synonyms

5 names
  • Phenylcarbamothioylurea
  • N-Phenyldicarbonimidothioic diamide
  • Phenyl-carbamothioyl-urea
  • N-Phenylthioimidodicarbonic diamide
  • N-Phenyl-2-imidothiodicarbonic diamide

Reactions

Work with 1-Phenyl-2-thiobiuret

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

1-Benzoyl-2-thiobiuret41835-24-961 % similar 1-Benzyl-3-phenyl-2-thiourea726-25-046 % similar Oxanilide620-81-544 % similar Phenylguanidine bicarbonate6685-76-339 % similar Phenylbiguanide102-02-338 % similar 1-Benzoyl-3-(2-pyridyl)-2-thiourea4921-86-238 % similar N-(4-Aminophenyl)benzamide17625-83-138 % similar N,N'-Bis(4-methylphenyl)thiourea621-01-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook