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2137593-81-6 | 7-methyl-1H,3H,4H,7H-2lambda6-pyrazolo[3,4-c][1,2]thiazine-2,2,4-trione
CAS No: 2137593-81-6 Catalog No: AG01EJW7 MDL No:MFCD31435898
Product Description
Catalog Number:
AG01EJW7
Chemical Name:
7-methyl-1H,3H,4H,7H-2lambda6-pyrazolo[3,4-c][1,2]thiazine-2,2,4-trione
CAS Number:
2137593-81-6
Molecular Formula:
C6H7N3O3S
Molecular Weight:
201.2031
MDL Number:
MFCD31435898
IUPAC Name:
7-methyl-2,2-dioxo-1H-pyrazolo[3,4-c]thiazin-4-one
InChI:
InChI=1S/C6H7N3O3S/c1-9-6-4(2-7-9)5(10)3-13(11,12)8-6/h2,8H,3H2,1H3
InChI Key:
BDUGPWDRZGUSEP-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1NS(=O)(=O)CC2=O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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