1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thione
Basic information
- CAS
95333-54-3- Standard SMILES
COc1cccc(Cn2cc[nH]c2=S)c1- InChIKey
BFWOZEYCOGTXIN-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- 1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thione
- IUPAC
- 3-[(3-methoxyphenyl)methyl]-1H-imidazole-2-thione
Names & synonyms
95333-54-3CHEMBL680081,3-Dihydro-1-[(3-methoxyphenyl)methyl]-2H-imidazole-2-thione1-(3-Methoxy-benzyl)-1,3-dihydro-imidazole-2-thione1-(3-methoxybenzyl)-1,3-dihydro-2H-imidazole-2-thioneSCHEMBL10593221DTXSID601181100BDBM50025809AK-105/408348171-[(3-Methoxyphenyl)methyl]-1,3-dihydro-2H-imidazole-2-thione
Database identifiers
- CAS
95333-54-3- PubChem CID
- 44306901
- DTXSID
DTXSID601181100- ChEMBL
CHEMBL68008- Nikkaji
- J271.815D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…