Butyramide, N-allyl-2-allylthio-2-ethyl-
Basic information
- CAS
66859-77-6- Standard SMILES
C=CCNC(=O)C(CC)(CC)SCC=C- InChIKey
YCMQWLGVGITCDP-UHFFFAOYSA-N- Molecular formula
- C12H21NOS
- Average molar mass
- 227.37 g/mol
- Monoisotopic mass
- 227.13438547
Names & identifiers
- Preferred name
- Butyramide, N-allyl-2-allylthio-2-ethyl-
- IUPAC
- 2-ethyl-N-prop-2-enyl-2-prop-2-enylsulfanylbutanamide
- English name
- N-Allyl-2-allylthio-2-ethylbutyramide
- Molecular formula
- C12H21NOS
- Molecular weight
- 227.37
Names & synonyms
N-Allyl-2-allylthio-2-ethylbutyramideBRN 1775911BUTYRAMIDE, N-ALLYL-2-ALLYLTHIO-2-ETHYL-66859-77-6DTXSID702169944-04-00-01084 (Beilstein Handbook Reference)RefChem:331204DTXCID001394852-Ethyl-N-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]butanamideButanamide, 2-ethyl-N-2-propen-1-yl-2-(2-propen-1-ylthio)-
Database identifiers
- CAS
66859-77-6- PubChem CID
- 48220
- DTXSID
DTXSID70216994- Nikkaji
- J65.808A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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