4-(Methylthio)-3H-imidazo[4,5-c]pyridine

HCID 11052002

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Basic information

CAS: 34550-50-0
Standard SMILES: CSc1nccc2[nH]cnc12
InChIKey: YIFCXTSVXSEGQE-UHFFFAOYSA-N
Molecular formula: C7H7N3S
Average molar mass: 165.22 g/mol
Monoisotopic mass: 165.03606841

Names & identifiers

Preferred name: 4-(Methylthio)-3H-imidazo[4,5-c]pyridine
IUPAC: 4-methylsulfanyl-1H-imidazo[4,5-c]pyridine

Names & synonyms

34550-50-04-(Methylthio)-3H-imidazo[4,5-c]pyridine4-(Methylthio)-3H-imidazo(4,5-c)pyridineRefChem:289202CHEMBL33472SCHEMBL1701475DTXSID2012740624-(Methylsulfanyl)-1H-imidazo[4,5-c]pyridine

Database identifiers

CAS: 34550-50-0
PubChem CID: 11052002
DTXSID: DTXSID201274062
ChEMBL: CHEMBL33472

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 142

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