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65776-64-9

65776-64-9 | 3-(3-hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide

CAS No: 65776-64-9 Catalog No: AG00FSWU MDL No:

Product Description

Catalog Number:
AG00FSWU
Chemical Name:
3-(3-hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide
CAS Number:
65776-64-9
IUPAC Name:
3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-ol;iodide
InChI:
InChI=1S/C12H16NO2S.HI/c1-9-13(6-3-7-14)11-8-10(15-2)4-5-12(11)16-9;/h4-5,8,14H,3,6-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
XBGABTWBPWSCNG-UHFFFAOYSA-M
EC Number:
265-921-4

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.995g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.229g/mol
Monoisotopic Mass:
364.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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