Acetyl methyl disulfide
Basic information
- CAS
5813-72-9- Standard SMILES
CSSC(C)=O- InChIKey
NLVICNKKKXOHMP-UHFFFAOYSA-N- Molecular formula
- C3H6OS2
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 121.98600716
Names & identifiers
- Preferred name
- Acetyl methyl disulfide
- IUPAC
- S-methylsulfanyl ethanethioate
- English name
- Acetyl(methyl) persulfide
- Molecular formula
- C3H6OS2
- Molecular weight
- 122.21
Names & synonyms
Peroxyacetic acid, dithio-, S-methyl ester5813-72-9Acetyl methyl disulfideS-Methyl dithioperoxyacetateDithioperoxyacetic acid, S-methyl esterBRN 1740200Ethane(thioperoxoic) acid, methyl esterMethyl ethane(dithioperoxo)oateSCHEMBL7533266DTXSID40206847Acetyl(methyl) persulfideEthane(dithioperoxoic) acid, SS-methyl ester
Database identifiers
- CAS
5813-72-9- PubChem CID
- 201326
- DTXSID
DTXSID40206847- Nikkaji
- J49.988I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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