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79443-10-0 | Ethanedione, bis(2-benzothiazolyl)-
CAS No: 79443-10-0 Catalog No: AG005K3A MDL No:
Product Description
Catalog Number:
AG005K3A
Chemical Name:
Ethanedione, bis(2-benzothiazolyl)-
CAS Number:
79443-10-0
Molecular Formula:
C16H8N2O2S2
Molecular Weight:
324.3769
IUPAC Name:
1,2-bis(1,3-benzothiazol-2-yl)ethane-1,2-dione
InChI:
InChI=1S/C16H8N2O2S2/c19-13(15-17-9-5-1-3-7-11(9)21-15)14(20)16-18-10-6-2-4-8-12(10)22-16/h1-8H
InChI Key:
FVKPEVIRWUVKJG-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1nc2c(s1)cccc2)c1nc2c(s1)cccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.003g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.372g/mol
Monoisotopic Mass:
324.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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