2-Methylthiolan-4-one-3-thiol
Basic information
- CAS
65936-90-5- Standard SMILES
CC1SCC(=O)C1S- InChIKey
XXRXAVULMYKULG-UHFFFAOYSA-N- Molecular formula
- C5H8OS2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.00165722
Names & identifiers
- Preferred name
- 2-Methylthiolan-4-one-3-thiol
- IUPAC
- 5-methyl-4-sulfanylthiolan-3-one
Names & synonyms
2-Methylthiolan-4-one-3-thiol65936-90-5SCHEMBL11517267DTXSID00336159XXRXAVULMYKULG-UHFFFAOYSA-NThiolan-4-on-3-thiol, 2-methylThiolan-4-one, 2-methyl-3-mercapto1,4-Anhydro-5-deoxy-1,3-dithiopent-2-ulose
Database identifiers
- CAS
65936-90-5- PubChem CID
- 529397
- DTXSID
DTXSID00336159
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
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Related reactions
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Compound notes
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