1,3-Dithiolane, 2,4-dimethyl-2-isopropyl-
Basic information
- CAS
102107-32-4- Standard SMILES
CC1CSC(C)(C(C)C)S1- InChIKey
FEBMSOAQOBLNRK-UHFFFAOYSA-N- Molecular formula
- C8H16S2
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl-
- IUPAC
- 2,4-dimethyl-2-propan-2-yl-1,3-dithiolane
Names & synonyms
102107-32-41,3-DITHIOLANE, 2,4-DIMETHYL-2-ISOPROPYL-RefChem:10529342,4-Dimethyl-2-isopropyl-1,3-dithiolaneBRN 54911402,4-dimethyl-2-(propan-2-yl)-1,3-dithiolaneDTXSID70907092
Database identifiers
- CAS
102107-32-4- PubChem CID
- 59216
- DTXSID
DTXSID70907092- Nikkaji
- J91.153D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
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Compound notes
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