Basic information
- CAS
5862-53-3- Standard SMILES
CC1CSC(C)(C)S1- InChIKey
CRVLTUAGMFKJEA-UHFFFAOYSA-N- Molecular formula
- C6H12S2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.03804273
Names & identifiers
- Preferred name
- 2,2,4-Trimethyl-1,3-dithiolane
- IUPAC
- 2,2,4-trimethyl-1,3-dithiolane
- English name
- 2,2,4-Trimethyl-1,3-dithiolane
- Molecular formula
- C6H12S2
- Molecular weight
- 148.29
Names & synonyms
2,2,4-Trimethyl-1,3-dithiolaneBRN 01028341,3-DITHIOLANE, 2,2,4-TRIMETHYL-DTXSID209741585-19-01-00087 (Beilstein Handbook Reference)RefChem:242874DTXCID301401593CRVLTUAGMFKJEA-UHFFFAOYSA-N5862-53-3SCHEMBL9187319SCHEMBL10414834SCHEMBL10414835
Show more names
DB-260219
Database identifiers
- CAS
5862-53-3- PubChem CID
- 22148
- DTXSID
DTXSID20974158- Nikkaji
- J76.263F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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