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4-(2-Pyridinyldithio)butanoic acid hydrazide

HCID 85558630
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Basic information

CAS
115616-52-9
Standard SMILES
NNC(=O)CCCSSc1ccccn1
InChIKey
FHVIGCNKZZUHNW-UHFFFAOYSA-N
Molecular formula
C9H13N3OS2
Average molar mass
243.4 g/mol
Monoisotopic mass
243.05000439

Names & identifiers

Preferred name
4-(2-Pyridinyldithio)butanoic acid hydrazide
IUPAC
4-(pyridin-2-yldisulfanyl)butanehydrazide

Names & synonyms

SCHEMBL31005453DTXSID4012569294-(2-Pyridinyldithio)butanoic acid hydrazide4-[(Pyridin-2-yl)disulfanyl]butanehydrazide115616-52-9

Database identifiers

CAS
115616-52-9
PubChem CID
85558630
DTXSID
DTXSID401256929

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
192

Related reactions

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Compound notes

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