2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
Basic information
- CAS
65782-57-2- Standard SMILES
O=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1- InChIKey
CEWLFUSODJPNDS-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3S2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.01328453
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone
Names & synonyms
65782-57-2RefChem:4503412-(1,3-benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone668-538-42-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone2-(1,3-benzothiazol-2-ylsulfanyl)-1-{4-nitrophenyl}ethanoneSTK510423AKOS000540234ST45016197AG-205/324560372-benzothiazol-2-ylthio-1-(4-nitrophenyl)ethan-1-one2-(Benzo[d]thiazol-2-ylthio)-1-(4-nitrophenyl)ethanone
Database identifiers
- CAS
65782-57-2- PubChem CID
- 719918
- EC Number
- 668-538-4
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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