N-[2-[bis(ethylsulfanyl)methylideneamino]-1,3-benzothiazol-6-yl]acetamide

HCID 331983

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Basic information

CAS: 77168-65-1
Standard SMILES: CCSC(=Nc1nc2ccc(NC(C)=O)cc2s1)SCC
InChIKey: OBDOSKMWFHHMFL-UHFFFAOYSA-N
Molecular formula: C14H17N3OS3
Average molar mass: 339.5 g/mol
Monoisotopic mass: 339.05337569

Names & identifiers

Preferred name: N-[2-[bis(ethylsulfanyl)methylideneamino]-1,3-benzothiazol-6-yl]acetamide
IUPAC: N-[2-[bis(ethylsulfanyl)methylideneamino]-1,3-benzothiazol-6-yl]acetamide

Names & synonyms

77168-65-1NSC 327365NSC327365N-[2-[bis(ethylsulfanyl)methylideneamino]-1,3-benzothiazol-6-yl]acetamideDTXSID60318214NSC-327365Diethyl (6-acetamido-1,3-benzothiazol-2-yl)carbonodithioimidate

Database identifiers

CAS: 77168-65-1
PubChem CID: 331983
DTXSID: DTXSID60318214

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 133 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 384

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