but-2-enedioic acid;2-imino-N-methyl-1,3-thiazolidin-3-amine
Basic information
- CAS
65993-80-8- Standard SMILES
CNN1CCSC1=N.O=C(O)C=CC(=O)O- InChIKey
HPCFTRPCSRQVBO-UHFFFAOYSA-N- Molecular formula
- C8H13N3O4S
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.06267708
Names & identifiers
- Preferred name
- but-2-enedioic acid;2-imino-N-methyl-1,3-thiazolidin-3-amine
- IUPAC
- but-2-enedioic acid;2-imino-N-methyl-1,3-thiazolidin-3-amine
Names & synonyms
65993-80-8DTXSID90792907But-2-enedioic acid--2-imino-N-methyl-1,3-thiazolidin-3-amine (1/1)
Database identifiers
- CAS
65993-80-8- PubChem CID
- 71369902
- DTXSID
DTXSID90792907
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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