Basic information
- CAS
3680-05-5- Standard SMILES
CS(=O)C(C)(C)C(=O)O- InChIKey
HHHMVNNQYMVCJA-UHFFFAOYSA-N- Molecular formula
- C5H10O3S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.03506535
Names & identifiers
- Preferred name
- 2-(Methanesulfinyl)-2-methylpropanoic acid
- IUPAC
- 2-methyl-2-methylsulfinylpropanoic acid
Names & synonyms
3680-05-5DTXSID209580142-(Methanesulfinyl)-2-methylpropanoic acidRefChem:1061876DTXCID201385934BRN 17621532-Methyl-2-(methylsulfinyl)propionic acidPropionic acid, 2-methyl-2-(methylsulfinyl)-SCHEMBL11424581AKOS017518251
Database identifiers
- CAS
3680-05-5- PubChem CID
- 199084
- DTXSID
DTXSID20958014- Nikkaji
- J3.657.427E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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