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21242-76-2 | 1,2-Dithiol-1-ium, 4-(4-methylphenyl)-3-(methylthio)-, iodide
CAS No: 21242-76-2 Catalog No: AG007ON8 MDL No:
Product Description
Catalog Number:
AG007ON8
Chemical Name:
1,2-Dithiol-1-ium, 4-(4-methylphenyl)-3-(methylthio)-, iodide
CAS Number:
21242-76-2
Molecular Formula:
C11H11IS3
Molecular Weight:
366.3045
IUPAC Name:
4-(4-methylphenyl)-3-methylsulfanyldithiol-1-ium;iodide
InChI:
InChI=1S/C11H11S3.HI/c1-8-3-5-9(6-4-8)10-7-13-14-11(10)12-2;/h3-7H,1-2H3;1H/q+1;/p-1
InChI Key:
FJRAXPXBRVSVBM-UHFFFAOYSA-M
SMILES:
CSc1s[s+]cc1c1ccc(cc1)C.[I-]
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.907g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.293g/mol
Monoisotopic Mass:
365.907g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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