Urea, 1-(2-chloroethyl)-3-(6-methoxy-2-benzothiazolyl)-
Basic information
- CAS
102433-54-5- Standard SMILES
COc1ccc2nc(NC(=O)NCCCl)sc2c1- InChIKey
IEWDTUTVDKFBJI-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2S
- Average molar mass
- 285.75 g/mol
- Monoisotopic mass
- 285.0338755
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(6-methoxy-2-benzothiazolyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
Names & synonyms
102433-54-5Urea, 1-(2-chloroethyl)-3-(6-methoxy-2-benzothiazolyl)-1-(2-Chloroethyl)-3-(6-methoxy-2-benzothiazolyl)urea3-(2-Chloroethyl)-1-(6-methoxy-2-benzothiazolyl)ureaDTXSID50145112RefChem:387352DTXCID3067603NSC160091NSC-160091N-(2-Chloroethyl)-N'-(6-methoxy-1,3-benzothiazol-2-yl)urea
Database identifiers
- CAS
102433-54-5- PubChem CID
- 293476
- DTXSID
DTXSID50145112- Nikkaji
- J83.883G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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