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147079-48-9 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-(methylthio)-
CAS No: 147079-48-9 Catalog No: AG001EKL MDL No:
Product Description
Catalog Number:
AG001EKL
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-(methylthio)-
CAS Number:
147079-48-9
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
1-methyl-6-methylsulfanyl-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C10H9NO3S/c1-11-8-4-3-6(15-2)5-7(8)9(12)14-10(11)13/h3-5H,1-2H3
InChI Key:
AIXDKSWRQNLKDE-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)c(=O)oc(=O)n2C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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