5-Amino-2-methylsulfanyl-1,3-thiazole-4-carbonitrile

HCID 339348

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Basic information

CAS: 73109-38-3
Standard SMILES: CSc1nc(C#N)c(N)s1
InChIKey: RZIOKTGKBOUNJZ-UHFFFAOYSA-N
Molecular formula: C5H5N3S2
Average molar mass: 171.2 g/mol
Monoisotopic mass: 170.99248952

Names & identifiers

Preferred name: 5-Amino-2-methylsulfanyl-1,3-thiazole-4-carbonitrile
IUPAC: 5-amino-2-methylsulfanyl-1,3-thiazole-4-carbonitrile

Names & synonyms

73109-38-35-amino-2-methylsulfanyl-1,3-thiazole-4-carbonitrileNSC365622DTXSID00320856NSC-365622DS-0055374-THIAZOLECARBONITRILE,5-AMINO-2-(METHYLTHIO)-5-AMINO-2-(METHYLSULFANYL)-1,3-THIAZOLE-4-CARBONITRILE

Database identifiers

CAS: 73109-38-3
PubChem CID: 339348
DTXSID: DTXSID00320856

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 164

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