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7117-31-9 | 1H-2,1-Benzothiazin-4(3H)-one,1-methyl-, 2,2-dioxide
CAS No: 7117-31-9 Catalog No: AG005X2I MDL No:MFCD00067994
Product Description
Catalog Number:
AG005X2I
Chemical Name:
1H-2,1-Benzothiazin-4(3H)-one,1-methyl-, 2,2-dioxide
CAS Number:
7117-31-9
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
MDL Number:
MFCD00067994
IUPAC Name:
1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C9H9NO3S/c1-10-8-5-3-2-4-7(8)9(11)6-14(10,12)13/h2-5H,6H2,1H3
InChI Key:
SLAAUAZTLUBBDB-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)N(c2c1cccc2)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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