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920980-64-9 | Ethanone, 1,1'-(2,3-dihydro-2-thioxo-5,6-benzothiazolediyl)bis-
CAS No: 920980-64-9 Catalog No: AG00679J MDL No:
Product Description
Catalog Number:
AG00679J
Chemical Name:
Ethanone, 1,1'-(2,3-dihydro-2-thioxo-5,6-benzothiazolediyl)bis-
CAS Number:
920980-64-9
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
IUPAC Name:
1-(6-acetyl-2-sulfanylidene-3H-1,3-benzothiazol-5-yl)ethanone
InChI:
InChI=1S/C11H9NO2S2/c1-5(13)7-3-9-10(16-11(15)12-9)4-8(7)6(2)14/h3-4H,1-2H3,(H,12,15)
InChI Key:
DXBBVXYIIOSKNC-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)cc(c(c2)C(=O)C)C(=O)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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