Basic information
- CAS
14893-94-8- Standard SMILES
Cc1csc(N)c1.O=C(O)C(=O)O- InChIKey
OFULBQBDLZEAOY-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.02522894
Names & identifiers
- Preferred name
- 4-Methylthiophen-2-amine oxalate
- IUPAC
- 4-methylthiophen-2-amine;oxalic acid
Names & synonyms
4-Methylthiophen-2-amine oxalate14893-94-84-METHYLTHIOPHEN-2-AMINE; OXALIC ACID4-Methylthiophen-2-amineoxalateDTXSID80858607Oxalic acid--4-methylthiophen-2-amine (1/1)
Database identifiers
- CAS
14893-94-8- PubChem CID
- 72183116
- DTXSID
DTXSID80858607
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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