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84437-66-1 | 1,2,4-Dithiazol-1-ium, 3-(4-methylphenyl)-5-phenyl-, perchlorate
CAS No: 84437-66-1 Catalog No: AG004SJ3 MDL No:
Product Description
Catalog Number:
AG004SJ3
Chemical Name:
1,2,4-Dithiazol-1-ium, 3-(4-methylphenyl)-5-phenyl-, perchlorate
CAS Number:
84437-66-1
Molecular Formula:
C15H12ClNO4S2
Molecular Weight:
369.8431
IUPAC Name:
3-(4-methylphenyl)-5-phenyl-1,2,4-dithiazol-1-ium;perchlorate
InChI:
InChI=1S/C15H12NS2.ClHO4/c1-11-7-9-13(10-8-11)15-16-14(17-18-15)12-5-3-2-4-6-12;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
YHECCYXTEJPPJB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccc(cc1)c1s[s+]c(n1)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.99g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.834g/mol
Monoisotopic Mass:
368.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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