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95523-57-2 | Thiazolium, 5-methyl-2-(methylthio)-3-(2-phenylethyl)-, iodide
CAS No: 95523-57-2 Catalog No: AG006DB6 MDL No:
Product Description
Catalog Number:
AG006DB6
Chemical Name:
Thiazolium, 5-methyl-2-(methylthio)-3-(2-phenylethyl)-, iodide
CAS Number:
95523-57-2
Molecular Formula:
C13H16INS2
Molecular Weight:
377.3073
IUPAC Name:
5-methyl-2-methylsulfanyl-3-(2-phenylethyl)-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C13H16NS2.HI/c1-11-10-14(13(15-2)16-11)9-8-12-6-4-3-5-7-12;/h3-7,10H,8-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
GEFSTGIZWSAJAT-UHFFFAOYSA-M
SMILES:
CSc1sc(c[n+]1CCc1ccccc1)C.[I-]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.977g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.302g/mol
Monoisotopic Mass:
376.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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