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110189-44-1 | Benzothiazolium, 5-methoxy-2-methyl-3-pentyl-, iodide
CAS No: 110189-44-1 Catalog No: AG007DTA MDL No:
Product Description
Catalog Number:
AG007DTA
Chemical Name:
Benzothiazolium, 5-methoxy-2-methyl-3-pentyl-, iodide
CAS Number:
110189-44-1
Molecular Formula:
C14H20INOS
Molecular Weight:
377.2842
IUPAC Name:
5-methoxy-2-methyl-3-pentyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C14H20NOS.HI/c1-4-5-6-9-15-11(2)17-14-8-7-12(16-3)10-13(14)15;/h7-8,10H,4-6,9H2,1-3H3;1H/q+1;/p-1
InChI Key:
DAGOPQINDOSREN-UHFFFAOYSA-M
SMILES:
CCCCC[n+]1c(C)sc2c1cc(OC)cc2.[I-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.284g/mol
Monoisotopic Mass:
377.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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