4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

C10H7ClN2SCAS 175203-08-4222.69 g/mol

Open in Covalent MOL file
SHNClN
Aryl halideThiol

Properties

Molecular formula
C10H7ClN2S
Molar mass
222.69 g/mol
Exact mass
222.0018 Da
logP
3.09Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
175203-08-4
SMILES
Sc1nccc(-c2ccc(Cl)cc2)n1
InChIKey
TWKIWOOKHPWUIM-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)

Weigh it out

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

Names and synonyms

4 names
  • 2(1H)-Pyrimidinethione, 4-(4-chlorophenyl)-
  • 4-(4-Chlorophenyl)pyrimidine-2-thiol
  • 4-(4-Chlorophenyl)-2-mercaptopyrimidine
  • 4-(4-Chlorophenyl)-2-pyrimidinethiol

Work with 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

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-(4-Chlorophenyl)pyridine5969-83-547 % similar 2,4-Dithiouracil2001-93-645 % similar 2-Thiouracil141-90-241 % similar 4-Chlorobenzenethiol106-54-740 % similar 4,4′-Dichlorobiphenyl2050-68-239 % similar 4-Chloro-2-phenylpyridine57311-18-939 % similar 2-Chloro-5-(4-chlorophenyl)pyrimidine27956-40-738 % similar 2-Mercapto-4-methylpyrimidine hydrochloride6959-66-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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