Basic information
- CAS
343268-21-3- Standard SMILES
ON=Cc1ccns1- InChIKey
XXDZWPGCXQRRMD-UHFFFAOYSA-N- Molecular formula
- C4H4N2OS
- Average molar mass
- 128.15 g/mol
- Monoisotopic mass
- 128.00443393
Names & identifiers
- Preferred name
- 5-Isothiazolecarboxaldehyde, oxime
- IUPAC
- N-(1,2-thiazol-5-ylmethylidene)hydroxylamine
Names & synonyms
5-Isothiazolecarboxaldehyde, oxime343268-21-3DTXSID401296278N-[(1,2-Thiazol-5-yl)methylidene]hydroxylamine
Database identifiers
- CAS
343268-21-3- PubChem CID
- 34236
- DTXSID
DTXSID401296278
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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