chempirical

N-3-Pyridinylthiourea

C6H7N3SCAS 30162-37-9153.20 g/mol

Open in Covalent MOL file
NHHSHNN
Thiol

Properties

Molecular formula
C6H7N3S
Molar mass
153.20 g/mol
Exact mass
153.0361 Da
Melting point
165–167 °C
logP
1.36Crippen estimate
Polar surface area
48.8 Ų
H-bond donors / acceptors
3 / 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
30162-37-9
SMILES
N=C(S)Nc1cccnc1
InChIKey
CFOJQUGXHMGMOT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)

Weigh it out

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

Names and synonyms

10 names
  • Thiourea, N-3-pyridinyl-
  • Thiourea, 3-pyridinyl-
  • Urea, 1-(3-pyridyl)-2-thio-
  • 3-Pyridylthiourea
  • N-3-Pyridylthiourea
  • 1-(3-Pyridyl)thiourea
  • NSC 201721
  • (Pyridin-3-yl)thiourea
  • N-Pyridin-3-ylthiourea
  • 1-(Pyridin-3-yl)thiourea

Work with N-3-Pyridinylthiourea

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

Phenylthiocarbamide103-85-560 % similar N-(3-Chlorophenyl)thiourea4947-89-150 % similar 3-Acetamidopyridine5867-45-850 % similar (3-Methylphenyl)thiourea621-40-949 % similar N-(4-Hydroxyphenyl)thiourea1520-27-046 % similar N-(4-Bromophenyl)thiourea2646-30-246 % similar N-(4-Chlorophenyl)thiourea3696-23-946 % similar N-(4-Fluorophenyl)thiourea459-05-246 % similar

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

Same formula

2-Pyridylthiourea14294-11-2 N-4-Pyridinylthiourea164670-44-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook