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63123-36-4 | 3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium iodide
CAS No: 63123-36-4 Catalog No: AG00EYQC MDL No:
Product Description
Catalog Number:
AG00EYQC
Chemical Name:
3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium iodide
CAS Number:
63123-36-4
IUPAC Name:
3-[2-[3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]propan-1-ol;iodide
InChI:
InChI=1S/C26H31N2O4S2.HI/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1
InChI Key:
FQPTWMOIDJRKIA-UHFFFAOYSA-M
EC Number:
263-880-7
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.077g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
626.568g/mol
Monoisotopic Mass:
626.077g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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