Basic information
- CAS
23799-94-2- Standard SMILES
NC(=O)NCc1cc2cc(Br)ccc2s1- InChIKey
IQKAIYNZHIFPPW-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2OS
- Average molar mass
- 285.16 g/mol
- Monoisotopic mass
- 283.9619
Names & identifiers
- Preferred name
- Urea, ((5-bromobenzo(b)thien-2-yl)methyl)-
- IUPAC
- (5-bromo-1-benzothiophen-2-yl)methylurea
Names & synonyms
23799-94-2Urea, ((5-bromobenzo(b)thien-2-yl)methyl)-((5-Bromobenzo(b)thien-2-yl)methyl)ureaDTXSID10178486RefChem:387061DTXCID40100977Urea,N-[(5-bromobenzo[b]thien-2-yl)methyl]-N-[(5-bromo-1-benzothien-2-yl)methyl]ureaN-[(5-Bromo-1-benzothiophen-2-yl)methyl]ureaAA-516/25012022
Database identifiers
- CAS
23799-94-2- PubChem CID
- 212005
- DTXSID
DTXSID10178486
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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