1-[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)urea
Basic information
- CAS
293767-17-6- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1- InChIKey
AZXVSUNTLIKEHZ-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3O2S
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.0495256
Names & identifiers
- Preferred name
- 1-[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)urea
- IUPAC
- 1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)urea
Names & synonyms
293767-17-61-(3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl)-3-(4-chlorophenyl)urea1-[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)ureaRefChem:423003836-470-6DTXSID501387553Urea, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-Na(2)-(4-chlorophenyl)-
Database identifiers
- CAS
293767-17-6- PubChem CID
- 3522337
- DTXSID
DTXSID501387553- EC Number
- 836-470-6
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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