1,3-Dithiolane, 2,4-dimethyl-2-propyl-
Basic information
- CAS
98561-12-7- Standard SMILES
CCCC1(C)SCC(C)S1- InChIKey
OHERLQGXFAEJFW-UHFFFAOYSA-N- Molecular formula
- C8H16S2
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2,4-dimethyl-2-propyl-
- IUPAC
- 2,4-dimethyl-2-propyl-1,3-dithiolane
Names & synonyms
2,4-Dimethyl-2-propyl-1,3-dithiolaneBRN 01039021,3-DITHIOLANE, 2,4-DIMETHYL-2-PROPYL-DTXSID209131834-19-00-00090 (Beilstein Handbook Reference)RefChem:219166DTXCID00134219298561-12-7
Database identifiers
- CAS
98561-12-7- PubChem CID
- 57419
- DTXSID
DTXSID20913183- Nikkaji
- J91.155K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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