2-Ethylsulfanyl-3-oxobutanenitrile
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Basic information
- CAS
70360-76-8- Standard SMILES
CCSC(C#N)C(C)=O- InChIKey
SLQOOMAWPBHIQL-UHFFFAOYSA-N- Molecular formula
- C6H9NOS
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.04048508
Names & identifiers
- Preferred name
- 2-Ethylsulfanyl-3-oxobutanenitrile
- IUPAC
- 2-ethylsulfanyl-3-oxobutanenitrile
- English name
- Butanenitrile, 2-(ethylthio)-3-oxo- (9CI)
- Molecular formula
- C6H9NOS
- Molecular weight
- 143.21
Names & synonyms
70360-76-82-ethylsulfanyl-3-oxobutanenitrileButanenitrile,2-(ethylthio)-3-oxo-2-(Ethylsulfanyl)-3-oxobutanenitrileNSC328364DTXSID70318285NSC-328364DB-286162BUTANENITRILE, 2-(ETHYLTHIO)-3-OXO-Butanenitrile, 2-(ethylthio)-3-oxo- (9CI)
Database identifiers
- CAS
70360-76-8- PubChem CID
- 332230
- DTXSID
DTXSID70318285
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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