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13944-95-1 | Ethanone, 2-(2-benzothiazolylthio)-1-phenyl-
CAS No: 13944-95-1 Catalog No: AG001B1J MDL No:MFCD00182869
Product Description
Catalog Number:
AG001B1J
Chemical Name:
Ethanone, 2-(2-benzothiazolylthio)-1-phenyl-
CAS Number:
13944-95-1
Molecular Formula:
C15H11NOS2
Molecular Weight:
285.3839
MDL Number:
MFCD00182869
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylethanone
InChI:
InChI=1S/C15H11NOS2/c17-13(11-6-2-1-3-7-11)10-18-15-16-12-8-4-5-9-14(12)19-15/h1-9H,10H2
InChI Key:
YYFVNSLIEHKDBT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1nc2c(s1)cccc2
NSC Number:
98878
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.379g/mol
Monoisotopic Mass:
285.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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