Basic information
- CAS
115421-49-3- Standard SMILES
CC1SSC(C)SC(C)S1- InChIKey
WMWRKEXBIGLGBW-UHFFFAOYSA-N- Molecular formula
- C6H12S4
- Average molar mass
- 212.4 g/mol
- Monoisotopic mass
- 211.98218508
Names & identifiers
- Preferred name
- 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl-
- IUPAC
- 3,5,7-trimethyl-1,2,4,6-tetrathiepane
Names & synonyms
1,2,4,6-Tetrathiepane, 3,5,7-trimethyl-115421-49-3DTXSID10336004RefChem:214865DTXCID202870933,5,7-trimethyl-1,2,4,6-tetrathiepane1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #3WMWRKEXBIGLGBW-UHFFFAOYSA-N1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #11,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #28-Methoxy-2-[(E)-2-(5-nitro-2-furyl)ethenyl]quinoline
Database identifiers
- CAS
115421-49-3- PubChem CID
- 528359
- DTXSID
DTXSID10336004
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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