Cas no 80651-05-4 (methyl 2-(naphthalen-2-ylthio)acetate)
80651-05-4 structure
Product Name:methyl 2-(naphthalen-2-ylthio)acetate
CAS No:80651-05-4
MF:C13H12O2S
MW:232.298182487488
CID:2126504
PubChem ID:21235698
Update Time:2025-04-21
methyl 2-(naphthalen-2-ylthio)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(naphthalen-2-ylthio)acetate
- 80651-05-4
- AKOS003610641
- SCHEMBL5278158
- DB-343232
- ZNXPGZQGPXWDKQ-UHFFFAOYSA-N
-
- Inchi： 1S/C13H12O2S/c1-15-13(14)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3
- InChI Key： ZNXPGZQGPXWDKQ-UHFFFAOYSA-N
- SMILES： S(CC(=O)OC)C1=CC=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 232.05580079Da
- Monoisotopic Mass: 232.05580079Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 242
- 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: 3.6
- Topological Polar Surface Area: 51.6?2
methyl 2-(naphthalen-2-ylthio)acetate Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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