Basic information
- CAS
101517-94-6- Standard SMILES
CC1SSSC(C)SS1- InChIKey
NGHSPVUOJNZCHU-UHFFFAOYSA-N- Molecular formula
- C4H8S5
- Average molar mass
- 216.4 g/mol
- Monoisotopic mass
- 215.92295612
Names & identifiers
- Preferred name
- 1,2,3,5,6-Pentathiepane, 4,7-dimethyl-
- IUPAC
- 4,7-dimethyl-1,2,3,5,6-pentathiepane
Names & synonyms
1,2,3,5,6-Pentathiepane, 4,7-dimethyl-101517-94-6DTXSID50336003RefChem:214556DTXCID602870921,2,3,5,6-Pentathiepane, 4,7-dimethyl4,7-dimethyl-1,2,3,5,6-pentathiepaneSCHEMBL4947569NGHSPVUOJNZCHU-UHFFFAOYSA-N
Database identifiers
- CAS
101517-94-6- PubChem CID
- 528358
- DTXSID
DTXSID50336003
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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