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189248-19-9 | Thiazolium, 3-methyl-5-(methylthio)-4-phenyl-2-(phenylthio)-, iodide (1:1)
CAS No: 189248-19-9 Catalog No: AG002I45 MDL No:
Product Description
Catalog Number:
AG002I45
Chemical Name:
Thiazolium, 3-methyl-5-(methylthio)-4-phenyl-2-(phenylthio)-, iodide (1:1)
CAS Number:
189248-19-9
Molecular Formula:
C17H16INS3
Molecular Weight:
457.4151
IUPAC Name:
3-methyl-5-methylsulfanyl-4-phenyl-2-phenylsulfanyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C17H16NS3.HI/c1-18-15(13-9-5-3-6-10-13)16(19-2)21-17(18)20-14-11-7-4-8-12-14;/h3-12H,1-2H3;1H/q+1;/p-1
InChI Key:
CGTZCDAUUXGNGO-UHFFFAOYSA-M
SMILES:
CSc1sc([n+](c1c1ccccc1)C)Sc1ccccc1.[I-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.949g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.406g/mol
Monoisotopic Mass:
456.949g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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