4-Chloro-5-methylthieno[2,3-d]pyrimidine

C₇H₅ClN₂SCAS 43088-67-1184.64 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅ClN₂S
Molar mass: 184.64 g/mol
Exact mass: 183.9862 Da
Melting point: 140–142 °C
logP: 2.65Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

43088-67-1

SMILES

Cc1csc2ncnc(Cl)c12

InChIKey

UAIXPCWTEUFSNI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2S/c1-4-2-11-7-5(4)6(8)9-3-10-7/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

Thieno[2,3-d]pyrimidine, 4-chloro-5-methyl-
NSC 153315
5-Methyl-4-chlorothieno[2,3-d]pyrimidine

Work with 4-Chloro-5-methylthieno[2,3-d]pyrimidine

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

5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-159 % similar 4-Chloro-5-phenylthieno[2,3-D]pyrimidine182198-35-251 % similar 4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine108831-68-147 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-647 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-643 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-240 % similar 2,4-Dichloro-7-methylthieno(3,2-d)pyrimidine35265-83-939 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-8 4-Chloro-7-methylthieno(3,2-d)pyrimidine175137-21-0 2-Amino-4-chlorobenzothiazole19952-47-7 5-Chloro-2-benzothiazolamine20358-00-3 5-Chloro-2-mercaptobenzimidazole25369-78-2 4-Chloro-2-methylthieno[2,3-d]pyrimidine56843-79-9 2-Amino-6-chlorobenzothiazole95-24-9

Elsewhere

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