Basic information
- CAS
74038-86-1- Standard SMILES
O=C(CSC1=NCCN1)c1ccccc1.[Cl-]- InChIKey
XYXXHORNWHQVEI-UHFFFAOYSA-M- Molecular formula
- C11H12ClN2OS-
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.0358869
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-phenacylthio-, hydrochloride
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone chloride
Names & synonyms
2-IMIDAZOLINE, 2-PHENACYLTHIO-, HYDROCHLORIDE74038-86-1RefChem:10634962-Phenacylthio-2-imidazolinium chloride
Database identifiers
- CAS
74038-86-1- PubChem CID
- 52895
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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