Cas no 67745-30-6 (Benzene, 4-nitro-1,2-bis(phenylthio)-)
67745-30-6 structure
Product Name:Benzene, 4-nitro-1,2-bis(phenylthio)-
CAS No:67745-30-6
MF:C18H13NO2S2
MW:339.43132185936
CID:394157
PubChem ID:12505050
Update Time:2025-04-19
Benzene, 4-nitro-1,2-bis(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-nitro-1,2-bis(phenylthio)-
- 4-nitro-1,2-bis(phenylsulfanyl)benzene
- 67745-30-6
- DTXSID30500689
- 1,1'-[(4-Nitro-1,2-phenylene)disulfanediyl]dibenzene
-
- Inchi： 1S/C18H13NO2S2/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13H
- InChI Key： HMIRXVTUAISHEU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1=CC(=CC=C1SC1C=CC=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 339.03889
- Monoisotopic Mass: 339.03877100g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 96.4?2
Experimental Properties
- PSA: 43.14
Benzene, 4-nitro-1,2-bis(phenylthio)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
67745-30-6 (Benzene, 4-nitro-1,2-bis(phenylthio)-) Related Products
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- 701-57-5(4-Nitrothioanisole)
- 2524-76-7(3-Nitrothioanisole)
- 1223-31-0(Bis(4-nitrophenyl) Sulfide)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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