CAS 6311-74-6 Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (HCID 238726)

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Basic information

CAS: 6311-74-6
Standard SMILES: COC(=O)c1cc(Cl)nc(SC)n1
InChIKey: UINYJUUWILMROT-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O2S
Average molar mass: 218.66 g/mol
Monoisotopic mass: 217.99167614

Names & identifiers

Preferred name: Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
IUPAC: methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate
English name: methyl 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate
Molecular formula: C7H7ClN2O2S
Molecular weight: 218.66

Names & synonyms

methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylateDTXSID50285926RefChem:817341DTXCID00237076988-165-36311-74-6Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylatemethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylateMFCD28043609METHYL 6-CHLORO-2-METHYLSULFANYL-PYRIMIDINE-4-CARBOXYLATEMethyl 6-chloro-2-(methylthio)-4-pyrimidinecarboxylateNSC43251

Show more names

Methyl6-chloro-2-(methylthio)pyrimidine-4-carboxylatemethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate - [M24643]

SCHEMBL1734395UINYJUUWILMROT-UHFFFAOYSA-N4-Pyrimidinecarboxylic acid, 6-chloro-2-(methylthio)-, methyl ester4-Pyrimidinecarboxylicacid, 6-chloro-2-(methylthio)-, methyl esterNSC 43251NSC-43251SB12839PS-15482

Database identifiers

CAS: 6311-74-6
PubChem CID: 238726
DTXSID: DTXSID50285926

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 77.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.