1,3-Dithiolane-4-methanol, 2-(1-methylbutyl)-
Basic information
- CAS
83521-77-1- Standard SMILES
CCCC(C)C1SCC(CO)S1- InChIKey
DIHLVCHMEZLKHC-UHFFFAOYSA-N- Molecular formula
- C9H18OS2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.07990754
Names & identifiers
- Preferred name
- 1,3-Dithiolane-4-methanol, 2-(1-methylbutyl)-
- IUPAC
- (2-pentan-2-yl-1,3-dithiolan-4-yl)methanol
Names & synonyms
2-(1-Methylbutyl)-1,3-dithiolane-4-methanolBRN 549311983521-77-11,3-DITHIOLANE-4-METHANOL, 2-(1-METHYLBUTYL)-RefChem:219211[2-(pentan-2-yl)-1,3-dithiolan-4-yl]methanolDTXSID301003498
Database identifiers
- CAS
83521-77-1- PubChem CID
- 55020
- DTXSID
DTXSID301003498- Nikkaji
- J91.168B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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