1,3-Dithiolane, 2-methyl-2-propyl-
Basic information
- CAS
57230-59-8- Standard SMILES
CCCC1(C)SCCS1- InChIKey
JQUCKLQXVFVCTH-UHFFFAOYSA-N- Molecular formula
- C7H14S2
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-methyl-2-propyl-
- IUPAC
- 2-methyl-2-propyl-1,3-dithiolane
Names & synonyms
2-Methyl-2-propyl-1,3-dithiolane1,3-DITHIOLANE, 2-METHYL-2-PROPYL-BRN 549082457230-59-8DTXSID40205850RefChem:219193DTXCID70128341JQUCKLQXVFVCTH-UHFFFAOYSA-NSCHEMBL734369
Database identifiers
- CAS
57230-59-8- PubChem CID
- 42238
- DTXSID
DTXSID40205850- Nikkaji
- J91.184D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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