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131988-19-7 | Pyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide (1:1)
CAS No: 131988-19-7 Catalog No: AG00100R MDL No:
Product Description
Catalog Number:
AG00100R
Chemical Name:
Pyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide (1:1)
CAS Number:
131988-19-7
Molecular Formula:
C14H20IN3OS
Molecular Weight:
405.2976
IUPAC Name:
3-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole;iodide
InChI:
InChI=1S/C14H20N3OS.HI/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;/h7-9,11H,3-6,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
PLDTVIHYDHJMEQ-UHFFFAOYSA-M
SMILES:
CCCCCCOc1nsnc1c1ccc[n+](c1)C.[I-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.298g/mol
Monoisotopic Mass:
405.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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