N-(1,3-Benzothiazol-2-YL)-N'-(3-chloro-4-methylphenyl)urea
Basic information
- CAS
853319-29-6- Standard SMILES
Cc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1Cl- InChIKey
GNYHXMONPVOQBC-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3OS
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0389609
Names & identifiers
- Preferred name
- N-(1,3-Benzothiazol-2-YL)-N'-(3-chloro-4-methylphenyl)urea
- IUPAC
- 1-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methylphenyl)urea
- English name
- N-(1,3-Benzothiazol-2-yl)-N'-(3-chloro-4-methylphenyl)urea
- Molecular formula
- C15H12ClN3OS
- Molecular weight
- 317.79328
Names & synonyms
N-(1,3-benzothiazol-2-yl)-N'-(3-chloro-4-methylphenyl)ureaRefChem:823371853319-29-6661-950-5AKOS024328108
Database identifiers
- CAS
853319-29-6- PubChem CID
- 45051174
- EC Number
- 661-950-5
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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 38 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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