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73042-64-5 | 2H-1,4-Benzothiazine-2,3(4H)-dione
CAS No: 73042-64-5 Catalog No: AG005YQD MDL No:
Product Description
Catalog Number:
AG005YQD
Chemical Name:
2H-1,4-Benzothiazine-2,3(4H)-dione
CAS Number:
73042-64-5
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
IUPAC Name:
4H-1,4-benzothiazine-2,3-dione
InChI:
InChI=1S/C8H5NO2S/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
InChI Key:
OWHIWJIGDREGQH-UHFFFAOYSA-N
SMILES:
O=c1sc2ccccc2[nH]c1=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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