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24687-33-0 | Naphtho[1,2-d]thiazolium, 2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-buten-1-yl]-1-(3-sulfopropyl)-, inner salt
CAS No: 24687-33-0 Catalog No: AG002P1G MDL No:
Product Description
Catalog Number:
AG002P1G
Chemical Name:
Naphtho[1,2-d]thiazolium, 2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-buten-1-yl]-1-(3-sulfopropyl)-, inner salt
CAS Number:
24687-33-0
IUPAC Name:
3-[2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C31H28N2O3S3/c1-3-21(19-28-32(2)30-24-11-6-4-9-22(24)13-15-26(30)37-28)20-29-33(17-8-18-39(34,35)36)31-25-12-7-5-10-23(25)14-16-27(31)38-29/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3
InChI Key:
DGXYFVIOIQPORQ-UHFFFAOYSA-N
EC Number:
246-410-5
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.126g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.756g/mol
Monoisotopic Mass:
572.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.4
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