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90993-34-3 | S-[2-(METHYLAMINO)ETHYL] 2-(METHYLAMINO)ETHANESULFONOTHIOATE
CAS No: 90993-34-3 Catalog No: AG006FRW MDL No:
Product Description
Catalog Number:
AG006FRW
Chemical Name:
S-[2-(METHYLAMINO)ETHYL] 2-(METHYLAMINO)ETHANESULFONOTHIOATE
CAS Number:
90993-34-3
Molecular Formula:
C6H16N2O2S2
Molecular Weight:
212.3334
IUPAC Name:
N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine
InChI:
InChI=1S/C6H16N2O2S2/c1-7-3-5-11-12(9,10)6-4-8-2/h7-8H,3-6H2,1-2H3
InChI Key:
OMFGLVLQXPQVID-UHFFFAOYSA-N
SMILES:
CNCCSS(=O)(=O)CCNC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.326g/mol
Monoisotopic Mass:
212.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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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