6-Chloro-2-methylsulfanylpyrimidine-4-carboxamide

HCID 239276CAS 6301-33-3
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Basic information

Standard SMILES
CSc1nc(Cl)cc(C(N)=O)n1
InChIKey
AYAGHGXQTMQOAZ-UHFFFAOYSA-N
Molecular formula
C6H6ClN3OS
Average molar mass
203.65 g/mol
Monoisotopic mass
202.99201049

Names & identifiers

Preferred name
6-Chloro-2-methylsulfanylpyrimidine-4-carboxamide
IUPAC
6-chloro-2-methylsulfanylpyrimidine-4-carboxamide

Names & synonyms

6301-33-36-Chloro-2-(methylthio)pyrimidine-4-carboxamide6-chloro-2-methylsulfanylpyrimidine-4-carboxamideNSC441986-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamideSCHEMBL1733430DTXSID90286210AYAGHGXQTMQOAZ-UHFFFAOYSA-NNSC-441986-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid amide

Database identifiers

CAS
6301-33-3
PubChem CID
239276
DTXSID
DTXSID90286210

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
94.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Related reactions

2 records
New reaction record

Linked notes

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