Diethyl 4,4'-Disulfanediylbis(3-nitrobenzoate) - CAS 49568-47-0
Catalog: |
BB026735 |
Product Name: |
Diethyl 4,4'-Disulfanediylbis(3-nitrobenzoate) |
CAS: |
49568-47-0 |
Synonyms: |
4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid ethyl ester; ethyl 4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate |
IUPAC Name: | ethyl 4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate |
Description: | Diethyl 4,4'-Disulfanediylbis(3-nitrobenzoate) (CAS# 49568-47-0 ) is a useful research chemical. |
Molecular Weight: | 452.46 |
Molecular Formula: | C18H16N2O8S2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C18H16N2O8S2/c1-3-27-17(21)11-5-7-15(13(9-11)19(23)24)29-30-16-8-6-12(18(22)28-4-2)10-14(16)20(25)26/h5-10H,3-4H2,1-2H3 |
InChI Key: | MYSPIDICHQHTRO-UHFFFAOYSA-N |
LogP: | 5.14720 |
Publication Number | Title | Priority Date |
WO-2012079079-A1 | Production of induced pluripotent stem cells | 20101210 |
US-2012258975-A1 | Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof | 20090721 |
WO-2011011522-A2 | Potent small molecule inhibitors of autophagy, and methods of use thereof | 20090721 |
US-7598240-B2 | Benzothiazin-3-one compound and intermediate therefor | 20060705 |
AU-2005227324-A1 | Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof | 20040325 |
Complexity: | 585 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 452.03480782 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 452.03480782 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 195 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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