Basic information
- CAS
882079-36-9- Standard SMILES
O=C(CSc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1- InChIKey
IMDTUHNSYXJACH-UHFFFAOYSA-N- Molecular formula
- C20H16ClNO2S
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.0590276
Names & identifiers
- Preferred name
- 2-[(4-chlorophenyl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
- IUPAC
- 2-(4-chlorophenyl)sulfanyl-N-(4-phenoxyphenyl)acetamide
- English name
- Acetamide, 2-[(4-chlorophenyl)thio]-N-(4-phenoxyphenyl)-
- Molecular formula
- C20H16ClNO2S
- Molecular weight
- 369.86
Names & synonyms
2-[(4-chlorophenyl)sulfanyl]-N-(4-phenoxyphenyl)acetamide882079-36-92-(4-chlorophenyl)sulfanyl-N-(4-phenoxyphenyl)acetamideAKOS005106215JS-20102-((4-CHLOROPHENYL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDEAcetamide, 2-[(4-chlorophenyl)thio]-N-(4-phenoxyphenyl)-
Database identifiers
- CAS
882079-36-9- PubChem CID
- 4592665
- EC Number
- 121-701-9
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 557.3 · 557.3±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.68 · 12.68±0.70(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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