Basic information
- CAS
2915255-82-0- Standard SMILES
Nc1ccc(S2(=O)=NCCC2)cc1- InChIKey
IHTKDWFSAQVGKK-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.06703418
Names & identifiers
- Preferred name
- 4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)aniline
- IUPAC
- 4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)aniline
- English name
- 1-(4-Aminophenyl)-4,5-dihydro-3H-isothiazole 1-oxide
- Molecular formula
- C9H12N2OS
- Molecular weight
- 196.27
Names & synonyms
2915255-82-01-(4-aminophenyl)-4,5-dihydro-3H-1lambda6,2-thiazol-1-one1-(4-Aminophenyl)-4,5-dihydro-3H-isothiazole 1-oxide
Database identifiers
- CAS
2915255-82-0- PubChem CID
- 177797635
- EC Number
- 183-620-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 385.306 · 385.306±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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