Basic information
- CAS
371935-76-1- Standard SMILES
CC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1- InChIKey
IBCSIGZUVJKKGL-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3S2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.01328453
Names & identifiers
- Preferred name
- 1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
- IUPAC
- 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
- English name
- 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
- Molecular formula
- C15H10N2O3S2
- Molecular weight
- 330.38
Names & synonyms
371935-76-11-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone1-[4-(2-Benzothiazolylthio)-3-nitrophenyl]ethanoneCambridge id 5928770DTXSID001228918STK072683AKOS001083682ST450059451-acetyl-4-benzothiazol-2-ylthio-3-nitrobenzeneAB00101097-01Z312043061-(4-(benzo[d]thiazol-2-ylthio)-3-nitrophenyl)ethanone
Show more names
Ethanone, 1-[4-(2-benzothiazolylthio)-3-nitrophenyl]-
1-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]ethanone1-{4-[(1,3-Benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Database identifiers
- CAS
371935-76-1- PubChem CID
- 877447
- DTXSID
DTXSID001228918
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 502.9 · 502.9±60.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -0.42 · -0.42±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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