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75173-55-6 | 2H-1,3,5-Thiadiazino[3,2-a]benzimidazole(9CI)
CAS No: 75173-55-6 Catalog No: AG005E2D MDL No:MFCD18814155
Product Description
Catalog Number:
AG005E2D
Chemical Name:
2H-1,3,5-Thiadiazino[3,2-a]benzimidazole(9CI)
CAS Number:
75173-55-6
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
MDL Number:
MFCD18814155
IUPAC Name:
2H-[1,3,5]thiadiazino[3,2-a]benzimidazole
InChI:
InChI=1S/C9H7N3S/c1-2-4-8-7(3-1)11-9-12(8)5-10-6-13-9/h1-5H,6H2
InChI Key:
JBRXSKURPKTFTA-UHFFFAOYSA-N
SMILES:
C1N=Cn2c(S1)nc1c2cccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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