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87785-20-4 | Oxazolium, 3-methyl-2-(methylthio)-4,5-diphenyl-, perchlorate
CAS No: 87785-20-4 Catalog No: AG004KYC MDL No:
Product Description
Catalog Number:
AG004KYC
Chemical Name:
Oxazolium, 3-methyl-2-(methylthio)-4,5-diphenyl-, perchlorate
CAS Number:
87785-20-4
Molecular Formula:
C17H16ClNO5S
Molecular Weight:
381.8306
IUPAC Name:
3-methyl-2-methylsulfanyl-4,5-diphenyl-1,3-oxazol-3-ium;perchlorate
InChI:
InChI=1S/C17H16NOS.ClHO4/c1-18-15(13-9-5-3-6-10-13)16(19-17(18)20-2)14-11-7-4-8-12-14;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
VDBJGWBTNUNNJJ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CSc1oc(c([n+]1C)c1ccccc1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.827g/mol
Monoisotopic Mass:
381.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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