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63870-43-9 | 3-ethyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
CAS No: 63870-43-9 Catalog No: AG00EUU4 MDL No:
Product Description
Catalog Number:
AG00EUU4
Chemical Name:
3-ethyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
CAS Number:
63870-43-9
IUPAC Name:
3-ethyl-2-[(Z)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C14H18NS2.HI/c1-4-11(16-3)10-14-15(5-2)12-8-6-7-9-13(12)17-14;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1/b11-10-;
InChI Key:
VRUKJBQALZCTDX-GMFCBQQYSA-M
EC Number:
264-533-2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
390.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.329g/mol
Monoisotopic Mass:
390.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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