Cas no 67278-51-7 (1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]-)
![1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]- structure](https://ossimg.kuujia.com/scimg/67500/67278-51-7x500.png)
67278-51-7 structure
Product Name:1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]-
CAS No:67278-51-7
MF:C42H30S3
MW:630.882606983185
CID:388057
PubChem ID:71368527
Update Time:2025-04-19
1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]-
- 1,3,5-tris(4-phenylsulfanylphenyl)benzene
- DTXSID20791584
- 67278-51-7
-
- Inchi： 1S/C42H30S3/c1-4-10-37(11-5-1)43-40-22-16-31(17-23-40)34-28-35(32-18-24-41(25-19-32)44-38-12-6-2-7-13-38)30-36(29-34)33-20-26-42(27-21-33)45-39-14-8-3-9-15-39/h1-30H
- InChI Key： SWLJGYOJQFOLJF-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=C(C2C=CC(=CC=2)SC2C=CC=CC=2)C=C(C2C=CC(=CC=2)SC2C=CC=CC=2)C=1
Computed Properties
- Exact Mass: 630.15096448g/mol
- Monoisotopic Mass: 630.15096448g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 45
- Rotatable Bond Count: 9
- Complexity: 696
- 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: 13
- Topological Polar Surface Area: 75.9?2
1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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