Basic information
- Standard SMILES
NC(=O)CCSSc1ccccn1- InChIKey
UPGQPDVTCACHAI-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS2
- Average molar mass
- 214.3 g/mol
Names & identifiers
- Preferred name
- 3-(2-Pyridyldithio)propanamide
- IUPAC
- 3-(pyridin-2-yldisulfanyl)propanamide
Names & synonyms
3-(2-Pyridyldithio)propanamideSCHEMBL76157SCHEMBL509519UPGQPDVTCACHAI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19901170
- Nikkaji
- J2.578.345J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
1 records
Compound notes
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