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188830-69-5 | [1,2,4]Thiadiazolo[2,3-a]pyridin-4-ium, 2-(methylamino)-, chloride (1:1)
CAS No: 188830-69-5 Catalog No: AG002HED MDL No:
Product Description
Catalog Number:
AG002HED
Chemical Name:
[1,2,4]Thiadiazolo[2,3-a]pyridin-4-ium, 2-(methylamino)-, chloride (1:1)
CAS Number:
188830-69-5
Molecular Formula:
C7H8ClN3S
Molecular Weight:
201.6765
IUPAC Name:
N-methyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine;chloride
InChI:
InChI=1S/C7H7N3S.ClH/c1-8-7-9-6-4-2-3-5-10(6)11-7;/h2-5H,1H3;1H
InChI Key:
GKQUCJWCKYDHSQ-UHFFFAOYSA-N
SMILES:
CNc1nc2[n+](s1)cccc2.[Cl-]
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.672g/mol
Monoisotopic Mass:
201.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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