Home Carboxys 5-methyl-1,1-dioxo-2H-1lambda6,2,6-thiadiazine-4-carboxylic acid

5-methyl-1,1-dioxo-2H-1lambda6,2,6-thiadiazine-4-carboxylic acid

CAS No.:
2137645-29-3
Catalog Number:
AG01EM57
Molecular Formula:
C5H6N2O4S
Molecular Weight:
190.1771
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Product Description
Catalog Number:
AG01EM57
Chemical Name:
5-methyl-1,1-dioxo-2H-1lambda6,2,6-thiadiazine-4-carboxylic acid
CAS Number:
2137645-29-3
Molecular Formula:
C5H6N2O4S
Molecular Weight:
190.1771
MDL Number:
MFCD31421537
IUPAC Name:
3-methyl-1,1-dioxo-2H-1,2,6-thiadiazine-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O4S/c1-3-4(5(8)9)2-6-12(10,11)7-3/h2,7H,1H3,(H,8,9)
InChI Key:
PEZOYBQNVORESP-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CNS(=O)(=O)N=C1C
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.173g/mol
Monoisotopic Mass:
190.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties