1,3-Dithiolane, 2-tert-butyl-
Basic information
- CAS
37754-55-5- Standard SMILES
CC(C)(C)C1SCCS1- InChIKey
MAHMEFGWYVMBGW-UHFFFAOYSA-N- Molecular formula
- C7H14S2
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-tert-butyl-
- IUPAC
- 2-tert-butyl-1,3-dithiolane
Names & synonyms
2-tert-Butyl-1,3-dithiolane1,3-DITHIOLANE, 2-tert-BUTYL-BRN 142117537754-55-5DTXSID601912015-19-01-00106 (Beilstein Handbook Reference)1,3-dithiolane, 2-(1,1-dimethylethyl)-RefChem:219198DTXCID30113692InChI=1/C7H14S2/c1-7(2,3)6-8-4-5-9-6/h6H,4-5H2,1-3HSCHEMBL10050826
Database identifiers
- CAS
37754-55-5- PubChem CID
- 37826
- DTXSID
DTXSID60191201- Nikkaji
- J91.140B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.6
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Compound notes
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