Basic information
- CAS
4882-97-7- Standard SMILES
CC1(C=O)SCCCS1- InChIKey
MPTGKIPTVOWUDD-UHFFFAOYSA-N- Molecular formula
- C6H10OS2
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.01730729
Names & identifiers
- Preferred name
- 1,3-Dithiane-2-carboxaldehyde, 2-methyl-
- IUPAC
- 2-methyl-1,3-dithiane-2-carbaldehyde
Names & synonyms
4882-97-71,3-Dithiane-2-carboxaldehyde, 2-methyl-DTXSID60395106RefChem:219143DTXCID203459652-methyl-1,3-dithiane-2-carbaldehydeSCHEMBL114173672-formyl-2-methyl-1,3-dithiane
Database identifiers
- CAS
4882-97-7- PubChem CID
- 3691209
- DTXSID
DTXSID60395106
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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