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6-methyl-1,2??,3-benzoxathiazine-2,2-dione

6-methyl-1,2??,3-benzoxathiazine-2,2-dione

CAS: 1393377-31-5

Formula: C8H7NO3S

SMILES: CC1=CC=C2OS(=O)(=O)N=CC2=C1

IUPAC: 6-methyl-1,2??,3-benzoxathiazine-2,2-dione

InChI: InChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3

Composition: C (48.72%), H (3.58%), N (7.10%), O (24.34%), S (16.26%)

Molar Mass: 197.21

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.014664263
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PKVLIZWFWZAIQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.15
Topological Polar Surface Area 55.73
Polarizability 18.82
Ring Count 2
Rotatable Bond Count 0

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