Basic information
- CAS
5338-85-2- Standard SMILES
CCCCCCCN=c1ssc(=O)n1CCCCCCC- InChIKey
NOZPXJROUSNKIE-UHFFFAOYSA-N- Molecular formula
- C16H30N2OS2
- Average molar mass
- 330.6 g/mol
- Monoisotopic mass
- 330.17995593
Names & identifiers
- Preferred name
- 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one
- IUPAC
- 4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one
Names & synonyms
4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-oneNSC 3422NSC34225338-85-2(5E)-4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one
Database identifiers
- CAS
5338-85-2- PubChem CID
- 407261
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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