Cas no 51762-73-3 (1,4-Benzenedicarbonitrile, 2-(phenylthio)-)
51762-73-3 structure
Product Name:1,4-Benzenedicarbonitrile, 2-(phenylthio)-
CAS No:51762-73-3
MF:C14H8N2S
MW:236.291721343994
CID:361487
PubChem ID:10585900
Update Time:2025-04-19
1,4-Benzenedicarbonitrile, 2-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarbonitrile, 2-(phenylthio)-
- 2-phenylsulfanylbenzene-1,4-dicarbonitrile
- 51762-73-3
- DTXSID50442133
- SCHEMBL11630733
-
- Inchi： 1S/C14H8N2S/c15-9-11-6-7-12(10-16)14(8-11)17-13-4-2-1-3-5-13/h1-8H
- InChI Key： ZPRLMWFVDIKTNI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=C(C#N)C=CC=1C#N
Computed Properties
- Exact Mass: 236.04094
- Monoisotopic Mass: 236.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 342
- 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: 3.4
- Topological Polar Surface Area: 72.9?2
Experimental Properties
- PSA: 47.58
1,4-Benzenedicarbonitrile, 2-(phenylthio)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
51762-73-3 (1,4-Benzenedicarbonitrile, 2-(phenylthio)-) Related Products
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- 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)
- 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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