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80765-97-5 | 1,2-Oxathiino[5,6-g]benzothiazole(9CI)
CAS No: 80765-97-5 Catalog No: AG0051F8 MDL No:
Product Description
Catalog Number:
AG0051F8
Chemical Name:
1,2-Oxathiino[5,6-g]benzothiazole(9CI)
CAS Number:
80765-97-5
Molecular Formula:
C9H5NOS2
Molecular Weight:
207.2721
IUPAC Name:
oxathiino[5,6-g][1,3]benzothiazole
InChI:
InChI=1S/C9H5NOS2/c1-2-7-9(12-5-10-7)8-6(1)3-4-13-11-8/h1-5H
InChI Key:
NQXZVWDCCFUPIO-UHFFFAOYSA-N
SMILES:
O1SC=Cc2c1c1scnc1cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.265g/mol
Monoisotopic Mass:
206.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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