1-Cyano-2-methyl-3-[2-(quinolin-2-ylmethylsulfanyl)ethyl]guanidine

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Basic information

CAS: 92885-50-2
Standard SMILES: CN=C(NC#N)NCCSCc1ccc2ccccc2n1
InChIKey: BKOZYMOGCILOFY-UHFFFAOYSA-N
Molecular formula: C15H17N5S
Average molar mass: 299.4 g/mol
Monoisotopic mass: 299.12046674

Names & identifiers

Preferred name: 1-Cyano-2-methyl-3-[2-(quinolin-2-ylmethylsulfanyl)ethyl]guanidine
IUPAC: 1-cyano-2-methyl-3-[2-(quinolin-2-ylmethylsulfanyl)ethyl]guanidine

Names & synonyms

92885-50-2NSC3480731-cyano-2-methyl-3-[2-(quinolin-2-ylmethylsulfanyl)ethyl]guanidineDTXSID80319602NSC-348073DS-0047873-Cyano-2-methyl-1-[2-(quinolin-2-ylmethylsulfanyl)ethyl]guanidineN-Cyano-N''-methyl-N'-(2-{[(quinolin-2-yl)methyl]sulfanyl}ethyl)guanidine

Database identifiers

CAS: 92885-50-2
PubChem CID: 335906
DTXSID: DTXSID80319602

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 389

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Compound notes

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