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91097-34-6 | Naphtho[1,2-d]thiazolium, 1-(2,3-dihydroxypropyl)-2-methyl-, chloride
CAS No: 91097-34-6 Catalog No: AG006R1H MDL No:
Product Description
Catalog Number:
AG006R1H
Chemical Name:
Naphtho[1,2-d]thiazolium, 1-(2,3-dihydroxypropyl)-2-methyl-, chloride
CAS Number:
91097-34-6
Molecular Formula:
C15H16ClNO2S
Molecular Weight:
309.8110
IUPAC Name:
3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1,2-diol;chloride
InChI:
InChI=1S/C15H16NO2S.ClH/c1-10-16(8-12(18)9-17)15-13-5-3-2-4-11(13)6-7-14(15)19-10;/h2-7,12,17-18H,8-9H2,1H3;1H/q+1;/p-1
InChI Key:
PWHAQCXFHSAPLB-UHFFFAOYSA-M
SMILES:
OCC(C[n+]1c(C)sc2c1c1ccccc1cc2)O.[Cl-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.808g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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