Cas no 101309-92-6 (Methyl 2-(dodecyldisulfanyl)benzoate)
101309-92-6 structure
Product Name:Methyl 2-(dodecyldisulfanyl)benzoate
CAS No:101309-92-6
MF:C20H32O2S2
MW:368.596883773804
CID:1128700
PubChem ID:71332545
Update Time:2025-04-20
Methyl 2-(dodecyldisulfanyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-(dodecyldisulfanyl)benzoate
- DTXSID60760971
- Benzoic acid, 2-(dodecyldithio)-, methyl ester
- 101309-92-6
-
- Inchi： 1S/C20H32O2S2/c1-3-4-5-6-7-8-9-10-11-14-17-23-24-19-16-13-12-15-18(19)20(21)22-2/h12-13,15-16H,3-11,14,17H2,1-2H3
- InChI Key： VYVSBNXUMGMHJE-UHFFFAOYSA-N
- SMILES： S(CCCCCCCCCCCC)SC1C=CC=CC=1C(=O)OC
Computed Properties
- Exact Mass: 368.184373g/mol
- Monoisotopic Mass: 368.184373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 310
- 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
- Molecular Weight: 368.6g/mol
- XLogP3: 7.9
- Topological Polar Surface Area: 76.9?2
Methyl 2-(dodecyldisulfanyl)benzoate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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