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29124-55-8 | Benzenamine, 2,2'-dithiobis[5-chloro-
CAS No: 29124-55-8 Catalog No: AG002XET MDL No:MFCD00025224
Product Description
Catalog Number:
AG002XET
Chemical Name:
Benzenamine, 2,2'-dithiobis[5-chloro-
CAS Number:
29124-55-8
Molecular Formula:
C12H10Cl2N2S2
Molecular Weight:
317.2572
MDL Number:
MFCD00025224
IUPAC Name:
2-[(2-amino-4-chlorophenyl)disulfanyl]-5-chloroaniline
InChI:
InChI=1S/C12H10Cl2N2S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6H,15-16H2
InChI Key:
XMIKJNSWZZMXKK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)SSc1ccc(cc1N)Cl
EC Number:
249-453-8
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.966g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.246g/mol
Monoisotopic Mass:
315.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. | Journal of medicinal chemistry 19960913 |
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