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188830-70-8

188830-70-8 | [1,2,4]Thiadiazolo[2,3-a]pyridin-4-ium, 2-(ethylamino)-, chloride (1:1)

CAS No: 188830-70-8 Catalog No: AG002HEC MDL No:

Product Description

Catalog Number:
AG002HEC
Chemical Name:
[1,2,4]Thiadiazolo[2,3-a]pyridin-4-ium, 2-(ethylamino)-, chloride (1:1)
CAS Number:
188830-70-8
Molecular Formula:
C8H10ClN3S
Molecular Weight:
215.7031
IUPAC Name:
N-ethyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine;chloride
InChI:
InChI=1S/C8H9N3S.ClH/c1-2-9-8-10-7-5-3-4-6-11(7)12-8;/h3-6H,2H2,1H3;1H
InChI Key:
VISNLXZTVOITLV-UHFFFAOYSA-N
SMILES:
CCNc1nc2[n+](s1)cccc2.[Cl-]

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.699g/mol
Monoisotopic Mass:
215.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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