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63816-01-3 | 3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
CAS No: 63816-01-3 Catalog No: AG00ETZT MDL No:
Product Description
Catalog Number:
AG00ETZT
Chemical Name:
3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
CAS Number:
63816-01-3
IUPAC Name:
3-ethyl-6-methoxy-5-methyl-2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C16H22NOS2.HI/c1-6-12(19-5)9-16-17(7-2)13-8-11(3)14(18-4)10-15(13)20-16;/h8-10H,6-7H2,1-5H3;1H/q+1;/p-1
InChI Key:
LMZNVANCBNRMPZ-UHFFFAOYSA-M
EC Number:
264-485-2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.019g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.382g/mol
Monoisotopic Mass:
435.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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