Basic information
- CAS
54883-29-3- Standard SMILES
COc1ccc(-c2nc(-c3ccc(N)cc3)cs2)cc1- InChIKey
XXJPQYQMGHLTJO-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- 4-(2-(4-Methoxyphenyl)-1,3-thiazol-4-YL)phenylamine
- IUPAC
- 4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
- English name
- 4-(2-(4-Methoxyphenyl)thiazol-4-yl)benzenamine
- Molecular formula
- C16H14N2OS
- Molecular weight
- 282.36
Names & synonyms
4-(2-(4-METHOXYPHENYL)-1,3-THIAZOL-4-YL)PHENYLAMINERefChem:511877658-870-854883-29-34-(2-(4-METHOXYPHENYL)THIAZOL-4-YL)BENZENAMINE4-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]anilineSCHEMBL13394699DTXSID50499263AKOS010520453SALOR-INT L499501-1EABenzenamine, 4-[2-(4-methoxyphenyl)-4-thiazolyl]-JR-6501, 4-(2-(4-Methoxyphenyl)thiazol-4-yl)benzenamine, 97%
Database identifiers
- CAS
54883-29-3- PubChem CID
- 12463535
- DTXSID
DTXSID50499263- EC Number
- 658-870-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
Dr. Jagath Reddy's Heterocyclics[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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