Home Carboxys 4H-benzo[e][1,2,4]triazolo[5,1-c][1,2,4]thiadiazine-7-carboxylic acid 5,5-dioxide

4H-benzo[e][1,2,4]triazolo[5,1-c][1,2,4]thiadiazine-7-carboxylic acid 5,5-dioxide

CAS No.:
1311316-98-9
Catalog Number:
AG01AH91
Molecular Formula:
C9H6N4O4S
Molecular Weight:
266.2333
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Product Description
Catalog Number:
AG01AH91
Chemical Name:
4H-benzo[e][1,2,4]triazolo[5,1-c][1,2,4]thiadiazine-7-carboxylic acid 5,5-dioxide
CAS Number:
1311316-98-9
Molecular Formula:
C9H6N4O4S
Molecular Weight:
266.2333
MDL Number:
MFCD18917246
IUPAC Name:
5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxylic acid
InChI:
InChI=1S/C9H6N4O4S/c14-8(15)5-1-2-6-7(3-5)18(16,17)12-9-10-4-11-13(6)9/h1-4H,(H,14,15)(H,10,11,12)
InChI Key:
BTMMSJMMMWRUDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)S(=O)(=O)Nc1n2ncn1
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.011g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.231g/mol
Monoisotopic Mass:
266.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties