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23384-65-8 | Ethanone, 2-(2-benzothiazolylthio)-1-(4-bromophenyl)-
CAS No: 23384-65-8 Catalog No: AG002N2P MDL No:
Product Description
Catalog Number:
AG002N2P
Chemical Name:
Ethanone, 2-(2-benzothiazolylthio)-1-(4-bromophenyl)-
CAS Number:
23384-65-8
Molecular Formula:
C15H10BrNOS2
Molecular Weight:
364.2800
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone
InChI:
InChI=1S/C15H10BrNOS2/c16-11-7-5-10(6-8-11)13(18)9-19-15-17-12-3-1-2-4-14(12)20-15/h1-8H,9H2
InChI Key:
WZNIXQCNMVOKMA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CSc1nc2c(s1)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.939g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.275g/mol
Monoisotopic Mass:
362.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| 2-(Benzo[d]thia-zol-2-ylsulfon-yl)-1-(4-bromo-phen-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20100101 |
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