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13232-77-4 | 1,2-Dithiol-1-ium, 3-(methylthio)-4,5-diphenyl-, iodide (1:1)
CAS No: 13232-77-4 Catalog No: AG0010KA MDL No:
Product Description
Catalog Number:
AG0010KA
Chemical Name:
1,2-Dithiol-1-ium, 3-(methylthio)-4,5-diphenyl-, iodide (1:1)
CAS Number:
13232-77-4
Molecular Formula:
C16H13IS3
Molecular Weight:
428.3739
IUPAC Name:
3-methylsulfanyl-4,5-diphenyldithiol-2-ium;iodide
InChI:
InChI=1S/C16H13S3.HI/c1-17-16-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13;/h2-11H,1H3;1H/q+1;/p-1
InChI Key:
XGVJDAXZOBYUQM-UHFFFAOYSA-M
SMILES:
CSc1s[s+]c(c1c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.922g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.364g/mol
Monoisotopic Mass:
427.922g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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