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83443-01-0 | 4H-TETRAZOLO(5,1-C)[1,4]BENZOTHIAZINE
CAS No: 83443-01-0 Catalog No: AG0053ZN MDL No:
Product Description
Catalog Number:
AG0053ZN
Chemical Name:
4H-TETRAZOLO(5,1-C)[1,4]BENZOTHIAZINE
CAS Number:
83443-01-0
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
IUPAC Name:
4H-tetrazolo[5,1-c][1,4]benzothiazine
InChI:
InChI=1S/C8H6N4S/c1-2-4-7-6(3-1)12-8(5-13-7)9-10-11-12/h1-4H,5H2
InChI Key:
PJSJLNZVYALOIF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1nnnc1CS2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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