Home Other Building Blocks 1,3-dimethyl-1H,4H,5H,6H-7lambda6-pyrazolo[3,4-b][1,4]thiazine-7,7-dione

1,3-dimethyl-1H,4H,5H,6H-7lambda6-pyrazolo[3,4-b][1,4]thiazine-7,7-dione

CAS No.:
1375244-33-9
Catalog Number:
AG01AKQR
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
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Product Description
Catalog Number:
AG01AKQR
Chemical Name:
1,3-dimethyl-1H,4H,5H,6H-7lambda6-pyrazolo[3,4-b][1,4]thiazine-7,7-dione
CAS Number:
1375244-33-9
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
MDL Number:
MFCD21602425
IUPAC Name:
1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b][1,4]thiazine 7,7-dioxide
InChI:
InChI=1S/C7H11N3O2S/c1-5-6-7(10(2)9-5)13(11,12)4-3-8-6/h8H,3-4H2,1-2H3
InChI Key:
IFBMSKYVMKWOBE-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1NCCS2(=O)=O)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.057g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.244g/mol
Monoisotopic Mass:
201.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties