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114072-04-7

114072-04-7 | 1H-Pyrazino[2,3-c][1,2,6]thiadiazine, 2,2-dioxide

CAS No: 114072-04-7 Catalog No: AG000AGI MDL No:

Product Description

Catalog Number:
AG000AGI
Chemical Name:
1H-Pyrazino[2,3-c][1,2,6]thiadiazine, 2,2-dioxide
CAS Number:
114072-04-7
Molecular Formula:
C5H4N4O2S
Molecular Weight:
184.1759
IUPAC Name:
1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide
InChI:
InChI=1S/C5H4N4O2S/c10-12(11)8-3-4-5(9-12)7-2-1-6-4/h1-3H,(H,7,9)
InChI Key:
UTCXNNLFDANWQK-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=Cc2c(N1)nccn2

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.173g/mol
Monoisotopic Mass:
184.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

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