Basic information
- CAS
83521-63-5- Standard SMILES
CCCC(C)C1SCCS1- InChIKey
LWDHANKUJOGFLC-UHFFFAOYSA-N- Molecular formula
- C8H16S2
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(1-methylbutyl)-
- IUPAC
- 2-pentan-2-yl-1,3-dithiolane
Names & synonyms
83521-63-51,3-DITHIOLANE, 2-(1-METHYLBUTYL)-RefChem:10529362-(1-Methylbutyl)-1,3-dithiolaneBRN 54910892-(Pentan-2-yl)-1,3-dithiolaneSCHEMBL3791836SCHEMBL21454092DTXSID501003494
Database identifiers
- CAS
83521-63-5- PubChem CID
- 55010
- DTXSID
DTXSID501003494- Nikkaji
- J91.178J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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