Cas no 61494-53-9 (Acetic acid, (1-pyrenylthio)-)
Acetic acid, (1-pyrenylthio)- structure
Product Name:Acetic acid, (1-pyrenylthio)-
CAS No:61494-53-9
MF:C18H12O2S
MW:292.351683616638
CID:477318
PubChem ID:71395320
Update Time:2025-04-19
Acetic acid, (1-pyrenylthio)- Chemical and Physical Properties
Names and Identifiers
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- Acetic acid, (1-pyrenylthio)-
- 2-pyren-1-ylsulfanylacetic acid
- DTXSID10816952
- [(Pyren-1-yl)sulfanyl]acetic acid
- 61494-53-9
-
- Inchi： 1S/C18H12O2S/c19-16(20)10-21-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)18(13)17(11)12/h1-9H,10H2,(H,19,20)
- InChI Key： VALBVMXUOOAIPQ-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)C1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 292.05586
- Monoisotopic Mass: 292.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 410
- 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: 5.1
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Acetic acid, (1-pyrenylthio)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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