2,5-Dimethyl-1,4-dithiane
Basic information
- CAS
72033-37-5- Standard SMILES
CC1CSC(C)CS1- InChIKey
OGQAHQBLZPEVNY-UHFFFAOYSA-N- Molecular formula
- C6H12S2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.03804273
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1,4-dithiane
- IUPAC
- 2,5-dimethyl-1,4-dithiane
Names & synonyms
2,5-Dimethyl-1,4-dithiane72033-37-5DTXSID50992724RefChem:1060100DTXCID4014197891,4-Dithiacyclohexane, 3,6-dimethyl2,5-Dimethyl-dithianeBRN 0103050p-DITHIANE, 2,5-DIMETHYL-4-19-00-00064 (Beilstein Handbook Reference)SCHEMBL7894271,4-Dithiane, 3,6-dimethyl
Show more names
OGQAHQBLZPEVNY-UHFFFAOYSA-N
Database identifiers
- CAS
72033-37-5- PubChem CID
- 51520
- DTXSID
DTXSID50992724- Nikkaji
- J87.569D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 62.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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