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Home > Encyclopedia > 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid structure

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 

structure
  • CAS No:

    61727-33-1

  • Formula:

    C6H5ClN2O2S

  • Chemical Name:

    5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

  • Synonyms:

    AKOS BBS-00000276;5-CHLORO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLIC ACID;5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID;BUTTPARK 97\18-95;5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CAR&;5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 98%;5-Chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid;5-Chloro-2-(methylsulphanyl)pyrimidine-4-carboxylic acid, 4-Carboxy-5-chloropyrimidin-2-yl methyl sulphide, 4-Carboxy-5-chloro-2-(methylthio)pyrimidine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid Basic Attributes

204.63

203.976028

1312995-182-4

DTXSID10352401

2933599090

Characteristics

88.4

1.5

1.6±0.1 g/cm3

165 °C (dec.)

396.4ºC at 760 mmHg

193.5±22.3 °C

1.638

Safety Information

NONH for all modes of transport

3

36-37/38-36/37/38

26-36/37-37/39

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid Use and Manufacturing

5-Chloro-2-(methylthio)-4-pyrimidinecarboxylic acid is a synthetic intermediate in the preparation of GSK3β inhibitors and non-nucleoside reverse transcriptase inhibitors for treating HIV infection.

Computed Properties

Molecular Weight:204.63
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:203.9760263
Monoisotopic Mass:203.9760263
Topological Polar Surface Area:88.4
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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