Basic information
- Standard SMILES
O=C(O)C1=CSCCS1- InChIKey
QHVQOJKDRCJEHK-UHFFFAOYSA-N- Molecular formula
- C5H6O2S2
- Average molar mass
- 162.2 g/mol
- Monoisotopic mass
- 161.98092178
Names & identifiers
- Preferred name
- 5,6-Dihydro-1,4-dithiin-2-carboxylic acid
- IUPAC
- 2,3-dihydro-1,4-dithiine-5-carboxylic acid
Names & synonyms
SCHEMBL10656512QHVQOJKDRCJEHK-UHFFFAOYSA-N5,6-dihydro-1,4-dithiin-2-carboxylic acid
Database identifiers
- PubChem CID
- 20134009
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 153
Related reactions
3 records
Compound notes
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