Cas no 62774-53-2 (Ethanol, 2-[(2,5-diethoxyphenyl)thio]-)
![Ethanol, 2-[(2,5-diethoxyphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/63000/62774-53-2x500.png)
62774-53-2 structure
Product Name:Ethanol, 2-[(2,5-diethoxyphenyl)thio]-
CAS No:62774-53-2
MF:C12H18O3S
MW:242.334522724152
CID:431696
PubChem ID:12277299
Update Time:2025-04-19
Ethanol, 2-[(2,5-diethoxyphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-[(2,5-diethoxyphenyl)thio]-
- 2-(2,5-diethoxyphenyl)sulfanylethanol
- 62774-53-2
- DTXSID50483748
-
- Inchi： 1S/C12H18O3S/c1-3-14-10-5-6-11(15-4-2)12(9-10)16-8-7-13/h5-6,9,13H,3-4,7-8H2,1-2H3
- InChI Key： CIRXMVSFDSJPCY-UHFFFAOYSA-N
- SMILES： S(CCO)C1C=C(C=CC=1OCC)OCC
Computed Properties
- Exact Mass: 242.09774
- Monoisotopic Mass: 242.09766561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 178
- 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: 2.4
- Topological Polar Surface Area: 64?2
Experimental Properties
- PSA: 38.69
Ethanol, 2-[(2,5-diethoxyphenyl)thio]- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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