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17701-26-7 | hydrogen-2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium
CAS No: 17701-26-7 Catalog No: AG00B3GN MDL No:
Product Description
Catalog Number:
AG00B3GN
Chemical Name:
hydrogen-2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium
CAS Number:
17701-26-7
IUPAC Name:
3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C24H26N2O6S4/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32)
InChI Key:
UWKASGMADAVFBW-UHFFFAOYSA-N
EC Number:
241-709-7
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.067g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
566.72g/mol
Monoisotopic Mass:
566.067g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.6
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