Basic information
- CAS
64037-65-6- Standard SMILES
C=CCSC(CC)(CC)C(N)=O- InChIKey
DYAWASAZUYPBDU-UHFFFAOYSA-N- Molecular formula
- C9H17NOS
- Average molar mass
- 187.3 g/mol
- Monoisotopic mass
- 187.10308534
Names & identifiers
- Preferred name
- Butyramide, 2-(allylthio)-2-ethyl-
- IUPAC
- 2-ethyl-2-prop-2-enylsulfanylbutanamide
- English name
- 2-Allylthio-2-ethylbutyramide
- Molecular formula
- C9H17NOS
- Molecular weight
- 0
Names & synonyms
64037-65-6BUTYRAMIDE, 2-(ALLYLTHIO)-2-ETHYL-DTXSID90214053RefChem:1080420DTXCID901365442-Allylthio-2-ethylbutyramideMLS0007381692-Allylmercapto-2-ethylbutyramideBRN 1765155Acetamide, 2-(allylthio)-2,2-diethyl-alpha-Allylmercapto-alpha,alpha-diethylacetamideNSC37883
Show more names
2-ethyl-2-allylmercapto-butyric acid amide
Butanamide, 2-ethyl-2-(2-propenylthio)-CHEMBL1340931NSC 37883NSC-37883NCGC00246937-01SMR000393927Butanamide, 2-ethyl-2- (2-propenylthio)-DB-313504
Database identifiers
- CAS
64037-65-6- PubChem CID
- 46428
- DTXSID
DTXSID90214053- ChEMBL
CHEMBL1340931- Nikkaji
- J65.810C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Density
- 1.0565 · 1.0565 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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