Basic information
- CAS
61076-81-1- Standard SMILES
C=CCSC1=NCCN1C(C)=O- InChIKey
QKUXYLKNCQTHSR-UHFFFAOYSA-N- Molecular formula
- C8H12N2OS
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.06703418
Names & identifiers
- Preferred name
- 2-Imidazoline, 1-acetyl-2-allylthio-
- IUPAC
- 1-(2-prop-2-enylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
Names & synonyms
2-IMIDAZOLINE, 1-ACETYL-2-ALLYLTHIO-61076-81-1BRN 06407803-Acetyl-2-allylthio-2-imidazolineImidazolidine, 3-acetyl-2-allylthio-DTXSID302099481-{2-[(Prop-2-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one
Database identifiers
- CAS
61076-81-1- PubChem CID
- 43540
- DTXSID
DTXSID30209948
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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