N-(2-(1H-Benzimidazol-2-yl)ethyl)-2-mercaptoethanimidamide

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Basic information

CAS: 19412-60-3
Standard SMILES: NC(CS)=NCCc1nc2ccccc2[nH]1
InChIKey: UVYKUERWOQLYQX-UHFFFAOYSA-N
Molecular formula: C11H14N4S
Average molar mass: 234.32 g/mol
Monoisotopic mass: 234.09391764

Names & identifiers

Preferred name: N-(2-(1H-Benzimidazol-2-yl)ethyl)-2-mercaptoethanimidamide
IUPAC: N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide

Names & synonyms

N-(2-(1H-Benzimidazol-2-yl)ethyl)-2-mercaptoethanimidamide19412-60-3NSC 194314NSC19431479TQJ7K49MDTXSID10173032N-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanyl-acetamidineEthanimidamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-mercapto-(1E)-N'-[2-(1H-1,3-Benzimidazol-2-yl)ethyl](sulfanyl)ethanimidamide738518-87-1

Database identifiers

CAS: 19412-60-3、738518-87-1
PubChem CID: 426591
DTXSID: DTXSID10173032
UNII: 79TQJ7K49M

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 256

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Compound notes

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