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799279-49-5 | 4-Isothiazolecarbonitrile, 3,3'-dithiobis[5-phenyl-
CAS No: 799279-49-5 Catalog No: AG008KUI MDL No:
Product Description
Catalog Number:
AG008KUI
Chemical Name:
4-Isothiazolecarbonitrile, 3,3'-dithiobis[5-phenyl-
CAS Number:
799279-49-5
Molecular Formula:
C20H10N4S4
Molecular Weight:
434.5802
IUPAC Name:
3-[(4-cyano-5-phenyl-1,2-thiazol-3-yl)disulfanyl]-5-phenyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C20H10N4S4/c21-11-15-17(13-7-3-1-4-8-13)25-23-19(15)27-28-20-16(12-22)18(26-24-20)14-9-5-2-6-10-14/h1-10H
InChI Key:
RTUKUNCGQGYELA-UHFFFAOYSA-N
SMILES:
N#Cc1c(SSc2nsc(c2C#N)c2ccccc2)nsc1c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.979g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.568g/mol
Monoisotopic Mass:
433.979g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Isothiazole derivatives as antiviral agents. | Antiviral chemistry & chemotherapy 20070101 |
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