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16470-41-0 | 2-(2-ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium
CAS No: 16470-41-0 Catalog No: AG00AZAC MDL No:
Product Description
Catalog Number:
AG00AZAC
Chemical Name:
2-(2-ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium
CAS Number:
16470-41-0
IUPAC Name:
3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C20H23NO4S2/c1-3-16(25-4-2)14-19-21(12-7-13-27(22,23)24)20-17-9-6-5-8-15(17)10-11-18(20)26-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChI Key:
ZYECOWRNUCPBQN-UHFFFAOYSA-N
EC Number:
240-522-8
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.107g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.527g/mol
Monoisotopic Mass:
405.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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