3-Benzyl-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione

HCID 950869

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Basic information

CAS: 61532-31-8
Standard SMILES: S=c1[nH]c2cccnc2n1Cc1ccccc1
InChIKey: SMEKGSJXVOATCK-UHFFFAOYSA-N
Molecular formula: C13H11N3S
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.06736854

Names & identifiers

Preferred name: 3-Benzyl-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione
IUPAC: 3-benzyl-1H-imidazo[4,5-b]pyridine-2-thione

Names & synonyms

61532-31-83-benzyl-3H-imidazo[4,5-b]pyridine-2-thiol3-Benzyl-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thioneOprea1_129875DTXSID50359196STL337366AKOS0010304352-mercapto-3-benzyl-3h-imidazo[4,5-b]pyridineAG-690/11960467SR-01000025499SR-01000025499-13-benzyl-3H-imidazo[4,5-b]pyridin-2-yl hydrosulfide

Show more names

Z56759719

Database identifiers

CAS: 61532-31-8
PubChem CID: 950869
DTXSID: DTXSID50359196

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 60.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 288

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