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42825-73-0 | 2-(2-ANILINOVINYL)-3-(3-SULFOPROPYL)-2-THIAZOLINIUM INNER SALT
CAS No: 42825-73-0 Catalog No: AG00CP7P MDL No:
Product Description
Catalog Number:
AG00CP7P
Chemical Name:
2-(2-ANILINOVINYL)-3-(3-SULFOPROPYL)-2-THIAZOLINIUM INNER SALT
CAS Number:
42825-73-0
IUPAC Name:
3-[2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C14H18N2O3S2/c17-21(18,19)12-4-9-16-10-11-20-14(16)7-8-15-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,17,18,19)
InChI Key:
DMMOMOLSKPDLPY-UHFFFAOYSA-N
EC Number:
255-958-4
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
326.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.429g/mol
Monoisotopic Mass:
326.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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