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790253-33-7 | 4H-Imidazo[5,1-d][1,2,3,5]thiatriazine(9CI)
CAS No: 790253-33-7 Catalog No: AG008N64 MDL No:
Product Description
Catalog Number:
AG008N64
Chemical Name:
4H-Imidazo[5,1-d][1,2,3,5]thiatriazine(9CI)
CAS Number:
790253-33-7
Molecular Formula:
C4H4N4S
Molecular Weight:
140.1664
IUPAC Name:
4H-imidazo[5,1-d][1,2,3,5]thiatriazine
InChI:
InChI=1S/C4H4N4S/c1-4-6-7-9-3-8(4)2-5-1/h1-2H,3H2
InChI Key:
JZSUVIUGXNYEAU-UHFFFAOYSA-N
SMILES:
N1=Nc2n(CS1)cnc2
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.164g/mol
Monoisotopic Mass:
140.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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