Diheptyl disulfide
Basic information
- CAS
10496-16-9- Standard SMILES
CCCCCCCSSCCCCCCC- InChIKey
IFGAFLQUAVLERP-UHFFFAOYSA-N- Molecular formula
- C14H30S2
- Average molar mass
- 262.5 g/mol
- Monoisotopic mass
- 262.1788933
Names & identifiers
- Preferred name
- Diheptyl disulfide
- IUPAC
- 1-(heptyldisulfanyl)heptane
- English name
- DI-N-HEPTYL DISULFIDE
- Molecular formula
- C14H30S2
- Molecular weight
- 262.52
Names & synonyms
Diheptyl disulfide10496-16-9di-n-Heptyl disulfideHeptyl disulfide1-(Heptyldisulfanyl)heptaneDiheptyl disulphideDisulfide, diheptyl8,9-DithiahexadecaneV2ULM5QWG5NSC-97275n-Heptyl disulfideEINECS 234-023-4
Show more names
heptyldisulfidediheptyldisulfidedisulfide,diheptylDiheptyl persulfideDiheptyl perdisulfideDI-N-HEPTYL DISULPHIDE
Di-n-heptyldisulfideDisulphide, diheptylUNII-V2ULM5QWG5SCHEMBL8681341-(Heptyldisulfanyl)heptane #DTXSID20146873NSC97275NSC 97275
Database identifiers
- CAS
10496-16-9- PubChem CID
- 82676
- DTXSID
DTXSID20146873- UNII
- V2ULM5QWG5
- EC Number
- 234-023-4
- Nikkaji
- J97.190A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -37.99 °C · -37.99°C
- Boiling point
- 147 °C · 147 °C / 5mmHg
- Density
- 0.91 · 0.91
- refractive index
- 1.484 · 1.4840
- FDA UNII
- 2 ULM5QWG5 · V2ULM5QWG5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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