Basic information
- CAS
51042-99-0- Standard SMILES
CC(C)(C=O)SC(C)(C)C=O- InChIKey
GTJVVPPOWUWJSR-UHFFFAOYSA-N- Molecular formula
- C8H14O2S
- Average molar mass
- 174.26 g/mol
- Monoisotopic mass
- 174.07145086
Names & identifiers
- Preferred name
- 2,2'-Sulfanediylbis(2-methylpropanal)
- IUPAC
- 2-methyl-2-(2-methyl-1-oxopropan-2-yl)sulfanylpropanal
Names & synonyms
51042-99-02,2'-Sulfanediylbis(2-methylpropanal)SCHEMBL29204136DTXSID30494377
Database identifiers
- CAS
51042-99-0- PubChem CID
- 12364713
- DTXSID
DTXSID30494377
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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