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82504-66-3 | 1,2-Dithiol-1-ium, 3,4,5-tris(methylthio)-, iodide
CAS No: 82504-66-3 Catalog No: AG0057OO MDL No:
Product Description
Catalog Number:
AG0057OO
Chemical Name:
1,2-Dithiol-1-ium, 3,4,5-tris(methylthio)-, iodide
CAS Number:
82504-66-3
Molecular Formula:
C6H9IS5
Molecular Weight:
368.3651
IUPAC Name:
3,4,5-tris(methylsulfanyl)dithiol-1-ium;iodide
InChI:
InChI=1S/C6H9S5.HI/c1-7-4-5(8-2)10-11-6(4)9-3;/h1-3H3;1H/q+1;/p-1
InChI Key:
ADRKOSSFUBFJBA-UHFFFAOYSA-M
SMILES:
CSc1[s+]sc(c1SC)SC.[I-]
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.835g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.342g/mol
Monoisotopic Mass:
367.835g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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