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2620-88-4 | Benzamide, 2,2'-dithiobis[N-butyl-
CAS No: 2620-88-4 Catalog No: AG002S99 MDL No:
Product Description
Catalog Number:
AG002S99
Chemical Name:
Benzamide, 2,2'-dithiobis[N-butyl-
CAS Number:
2620-88-4
Molecular Formula:
C22H28N2O2S2
Molecular Weight:
416.5999
IUPAC Name:
N-butyl-2-[[2-(butylcarbamoyl)phenyl]disulfanyl]benzamide
InChI:
InChI=1S/C22H28N2O2S2/c1-3-5-15-23-21(25)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(26)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChI Key:
GXPQTGLOKRVDNN-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCC
EC Number:
220-059-8
UNII:
5L9Y70WN5S
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.598g/mol
Monoisotopic Mass:
416.159g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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