Basic information
- CAS
65322-16-9- Standard SMILES
CCOC1=CS(C)(=O)=NC(SC)=C1C#N- InChIKey
FHEXNQHIRLJGLY-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S2
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.03401998
Names & identifiers
- Preferred name
- 5-Ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1lambda6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile
- IUPAC
- 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile
Names & synonyms
NSC30444465322-16-9DTXSID50316542NSC-3044445-Ethoxy-1-methyl-3-(methylsulfanyl)-1-oxo-1lambda~6~,2-thiazine-4-carbonitrile
Database identifiers
- CAS
65322-16-9- PubChem CID
- 327804
- DTXSID
DTXSID50316542
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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