Urea, (2-(5-bromobenzo(b)thien-2-yl)ethyl)-
Basic information
- CAS
23799-96-4- Standard SMILES
NC(=O)NCCc1cc2cc(Br)ccc2s1- InChIKey
XTWQZSCUCIAWMA-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2OS
- Average molar mass
- 299.19 g/mol
- Monoisotopic mass
- 297.97755
Names & identifiers
- Preferred name
- Urea, (2-(5-bromobenzo(b)thien-2-yl)ethyl)-
- IUPAC
- 2-(5-bromo-1-benzothiophen-2-yl)ethylurea
Names & synonyms
Urea, (2-(5-bromobenzo(b)thien-2-yl)ethyl)-(2-(5-Bromobenzo(b)thien-2-yl)ethyl)urea23799-96-4DTXSID30178488RefChem:387090DTXCID60100979N-[2-(5-Bromo-1-benzothiophen-2-yl)ethyl]urea
Database identifiers
- CAS
23799-96-4- PubChem CID
- 212007
- DTXSID
DTXSID30178488
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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