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18260-42-9 | 1,2-Dithiol-1-ium, 3,5-bis(methylthio)-4-phenyl-, iodide (1:1)
CAS No: 18260-42-9 Catalog No: AG00240R MDL No:MFCD02089544
Product Description
Catalog Number:
AG00240R
Chemical Name:
1,2-Dithiol-1-ium, 3,5-bis(methylthio)-4-phenyl-, iodide (1:1)
CAS Number:
18260-42-9
Molecular Formula:
C11H11IS4
Molecular Weight:
398.3695
MDL Number:
MFCD02089544
IUPAC Name:
3,5-bis(methylsulfanyl)-4-phenyldithiol-1-ium
InChI:
InChI=1S/C11H11S4/c1-12-10-9(11(13-2)15-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChI Key:
KRQJZOIRWQSKOG-UHFFFAOYSA-N
SMILES:
CSc1[s+]sc(c1c1ccccc1)SC.[I-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.974g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.449g/mol
Monoisotopic Mass:
270.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Mining the NCI antiviral compounds for HIV-1 integrase inhibitors. | Bioorganic & medicinal chemistry 20060601 |
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