Acetamide, 2-((4-cyano-3-(methylthio)-5-isothiazolyl)thio)-
Basic information
- CAS
77726-54-6- Standard SMILES
CSc1nsc(SCC(N)=O)c1C#N- InChIKey
MFYYWTISBNDSPK-UHFFFAOYSA-N- Molecular formula
- C7H7N3OS3
- Average molar mass
- 245.4 g/mol
- Monoisotopic mass
- 244.97512538
Names & identifiers
- Preferred name
- Acetamide, 2-((4-cyano-3-(methylthio)-5-isothiazolyl)thio)-
- IUPAC
- 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
Names & synonyms
BRN 5949361Acetamide, 2-((4-cyano-3-(methylthio)-5-isothiazolyl)thio)-2-((4-Cyano-3-(methylthio)-5-isothiazolyl)thio)acetamide77726-54-6DTXSID00228348RefChem:314363DTXCID201508392-{[4-Cyano-3-(methylsulfanyl)-1,2-thiazol-5-yl]sulfanyl}acetamide
Database identifiers
- CAS
77726-54-6- PubChem CID
- 3060107
- DTXSID
DTXSID00228348
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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