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63149-01-9 | 5-METHOXY-2-METHYL-3-(3-SULFOPROPYL)BENZOTHIAZOLIUM INNER SALT
CAS No: 63149-01-9 Catalog No: AG00EFLQ MDL No:
Product Description
Catalog Number:
AG00EFLQ
Chemical Name:
5-METHOXY-2-METHYL-3-(3-SULFOPROPYL)BENZOTHIAZOLIUM INNER SALT
CAS Number:
63149-01-9
IUPAC Name:
3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C12H15NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
PPFNXRJKTUSEKT-UHFFFAOYSA-N
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.375g/mol
Monoisotopic Mass:
301.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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