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14446-37-8 | 5H-Thiazolo[4,5-g][1,4]benzothiazin-6(7H)-one
CAS No: 14446-37-8 Catalog No: AG001JKS MDL No:
Product Description
Catalog Number:
AG001JKS
Chemical Name:
5H-Thiazolo[4,5-g][1,4]benzothiazin-6(7H)-one
CAS Number:
14446-37-8
Molecular Formula:
C9H6N2OS2
Molecular Weight:
222.2867
IUPAC Name:
5H-[1,3]thiazolo[4,5-g][1,4]benzothiazin-6-one
InChI:
InChI=1S/C9H6N2OS2/c12-9-3-13-8-2-7-5(10-4-14-7)1-6(8)11-9/h1-2,4H,3H2,(H,11,12)
InChI Key:
QDIVPLWCIVCYKS-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc1c(c2)scn1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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