Cas no 104128-50-9 (4-(4-methylphenyl)sulfanylbenzonitrile)
104128-50-9 structure
Product Name:4-(4-methylphenyl)sulfanylbenzonitrile
CAS No:104128-50-9
MF:C14H11NS
MW:225.308841943741
CID:1140790
PubChem ID:29276262
Update Time:2025-04-20
4-(4-methylphenyl)sulfanylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-methylphenyl)sulfanylbenzonitrile
- CTK0D8191
- SureCN14378075
- Benzonitrile, 4-[(4-methylphenyl)thio]-
- AKOS005766061
- 4-p-tolylsulfanyl-benzonitrile
- ACMC-20m6wv
- 4-p-Tolylmercapto-benzoesaeure-nitril
- 4-p-Tolylmercapto-benzonitril
- CTK0D8191; SureCN14378075; Benzonitrile, 4-[(4-methylphenyl)thio]-; AKOS005766061; 4-p-tolylsulfanyl-benzonitrile; ACMC-20m6wv; 4-p-Tolylmercapto-benzoesaeure-nitril; 4-p-Tolylmercapto-benzonitril;
- SCHEMBL14378075
- 104128-50-9
- (Ph-CH3)-S-(Ph-CN)
- DTXSID70651947
- 4-[(4-METHYLPHENYL)SULFANYL]BENZONITRILE
-
- Inchi： 1S/C14H11NS/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-9H,1H3
- InChI Key： XRIOVZOMWGRUSB-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C#N)=CC=1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 225.06133
- Monoisotopic Mass: 225.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 4.1
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 23.79
4-(4-methylphenyl)sulfanylbenzonitrile Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
104128-50-9 (4-(4-methylphenyl)sulfanylbenzonitrile) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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