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67892-65-3 | 2-Methyl-3-(3-sulfonatopropyl)naphtho[2,1-d]thiazol-3-ium
CAS No: 67892-65-3 Catalog No: AG00FZCB MDL No:
Product Description
Catalog Number:
AG00FZCB
Chemical Name:
2-Methyl-3-(3-sulfonatopropyl)naphtho[2,1-d]thiazol-3-ium
CAS Number:
67892-65-3
IUPAC Name:
3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C15H15NO3S2/c1-11-16(9-4-10-21(17,18)19)14-8-7-12-5-2-3-6-13(12)15(14)20-11/h2-3,5-8H,4,9-10H2,1H3
InChI Key:
ZWJQQFGRODUJID-UHFFFAOYSA-N
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.409g/mol
Monoisotopic Mass:
321.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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