Octyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioate
Basic information
- CAS
66528-38-9- Standard SMILES
CCCCCCCCSC(=S)N(C)NC(=O)c1ccccn1- InChIKey
SQTBBZGBELGZRU-UHFFFAOYSA-N- Molecular formula
- C16H25N3OS2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.14390478
Names & identifiers
- Preferred name
- Octyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioate
- IUPAC
- octyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
Names & synonyms
66528-38-9NSC316175CHEMBL3277740DTXSID50317478Octyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioateNSC-316175
Database identifiers
- CAS
66528-38-9- PubChem CID
- 330143
- DTXSID
DTXSID50317478- ChEMBL
CHEMBL3277740
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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