chempirical

N-(5-Chloro-2-methoxyphenyl)thiourea

C8H9ClN2OSCAS 63980-69-8216.68 g/mol

Open in Covalent MOL file
OClNHHNHS
Aryl halideEtherThiol

Properties

Molecular formula
C8H9ClN2OS
Molar mass
216.68 g/mol
Exact mass
216.0124 Da
Melting point
144–145 °C
logP
2.63Crippen estimate
Polar surface area
45.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
63980-69-8
SMILES
COc1ccc(Cl)cc1NC(=N)S
InChIKey
SEMNHAXMORNHNR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)

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

Names and synonyms

8 names
  • Thiourea, N-(5-chloro-2-methoxyphenyl)-
  • Thiourea, (5-chloro-2-methoxyphenyl)-
  • (5-Chloro-2-methoxyphenyl)thiourea
  • 1-(2-Methoxy-5-chlorophenyl)thiourea
  • NSC 25002
  • 2-Methoxy-5-chlorophenyl thiourea
  • (2-Methoxy-5-chlorophenyl)-2-thiourea
  • 1-(5-Chloro-2-methoxyphenyl)thiourea

Work with N-(5-Chloro-2-methoxyphenyl)thiourea

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

(2-Methoxyphenyl)thiourea1516-37-662 % similar N-(3-Chlorophenyl)thiourea4947-89-149 % similar N-(4-Chlorophenyl)thiourea3696-23-949 % similar (2-Chlorophenyl)thiourea5344-82-146 % similar (4-Methoxyphenyl)thiourea2293-07-445 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-345 % similar 5-Chloro-2-methoxyaniline95-03-445 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-544 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook