Basic information
- CAS
70733-77-6- Standard SMILES
COc1cc(C(=S)N2CCN=C2C)cc(OC)c1OC- InChIKey
BRFXSUBNRDKIBY-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3S
- Average molar mass
- 294.37 g/mol
- Monoisotopic mass
- 294.10381361
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-methyl-1-(3,4,5-trimethoxythiobenzoyl)-
- IUPAC
- (2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanethione
Names & synonyms
BRN 05578532-IMIDAZOLINE, 2-METHYL-1-(3,4,5-TRIMETHOXYTHIOBENZOYL)-2-Methyl-1-(3,4,5-trimethoxythiobenzoyl)-2-imidazoline70733-77-6DTXSID702209905-23-03-00387 (Beilstein Handbook Reference)RefChem:262024DTXCID00143481(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanethione
Database identifiers
- CAS
70733-77-6- PubChem CID
- 51155
- DTXSID
DTXSID70220990
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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