Basic information
- CAS
83521-74-8- Standard SMILES
CCCC(C)C1SCC(C)S1- InChIKey
XWSIUYSEKCYIOF-UHFFFAOYSA-N- Molecular formula
- C9H18S2
- Average molar mass
- 190.4 g/mol
- Monoisotopic mass
- 190.08499292
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(1-methylbutyl)-4-methyl-
- IUPAC
- 4-methyl-2-pentan-2-yl-1,3-dithiolane
Names & synonyms
83521-74-81,3-DITHIOLANE, 2-(1-METHYLBUTYL)-4-METHYL-RefChem:1052937BRN 54918032-(1-Methylbutyl)-4-methyl-1,3-dithiolane4-Methyl-2-(pentan-2-yl)-1,3-dithiolaneDTXSID601003497
Database identifiers
- CAS
83521-74-8- PubChem CID
- 55019
- DTXSID
DTXSID601003497- Nikkaji
- J91.179H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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