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63148-84-5 | 2-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium
CAS No: 63148-84-5 Catalog No: AG00EMS7 MDL No:
Product Description
Catalog Number:
AG00EMS7
Chemical Name:
2-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium
CAS Number:
63148-84-5
IUPAC Name:
4-[2-[4-(N-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate
InChI:
InChI=1S/C27H26N2O4S2/c1-20(35(31,32)33)15-17-29-25-18-22-10-6-7-11-23(22)19-26(25)34-27(29)14-8-9-16-28(21(2)30)24-12-4-3-5-13-24/h3-14,16,18-20H,15,17H2,1-2H3
InChI Key:
YHHPTGQMZQAZEW-UHFFFAOYSA-N
EC Number:
263-936-0
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.133g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.635g/mol
Monoisotopic Mass:
506.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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