Basic information
- CAS
91828-95-4- Standard SMILES
O=C(O)C1CSCC(C(=O)O)N1- InChIKey
MHRLWUPLSHYLOK-UHFFFAOYSA-N- Molecular formula
- C6H9NO4S
- Average molar mass
- 191.21 g/mol
- Monoisotopic mass
- 191.02522877
Overview
Thiomorpholine-3,5-dicarboxylic acid is a sulfur-containing carboxylic acid, a dicarboxylic acid and a member of thiomorpholines.
Names & identifiers
- Preferred name
- 3,5-Thiomorpholinedicarboxylic acid
- IUPAC
- thiomorpholine-3,5-dicarboxylic acid
- English name
- 1,4-thiomorpholine-3,5-dicarboxylic acid
- Molecular formula
- C6H9NO4S
- Molecular weight
- 0
Names & synonyms
thiomorpholine-3,5-dicarboxylic acid91828-95-4TMDA1,4-Thiomorpholine-3,5-dicarboxylic acidCHEBI:36397DTXSID309194943,5-Thiomorpholinedicarboxylic acidRefChem:910730DTXCID401348423thiomorpholine-3,5-dicarboxylicSCHEMBL29373309MHRLWUPLSHYLOK-UHFFFAOYSA-N
Show more names
NDA49247thiomorpholine-3,5-dicar-boxylic acidDB-378323EN300-7437597Q27116813
Database identifiers
- CAS
91828-95-4- PubChem CID
- 9548758
- DTXSID
DTXSID30919494- ChEBI
CHEBI:36397- Nikkaji
- J881.532A
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Additional notes
DefinitionChEBI: Thiomorpholine-3,5-dicarboxylic acid is a sulfur-containing carboxylic acid, a member of thiomorpholines and a dicarboxylic acid.
Related reactions
1 records
Compound notes
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