Cas no 13290-19-2 (Ethanol, 2-[(4-methoxyphenyl)thio]-)
![Ethanol, 2-[(4-methoxyphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/13500/13290-19-2x500.png)
13290-19-2 structure
Product Name:Ethanol, 2-[(4-methoxyphenyl)thio]-
CAS No:13290-19-2
MF:C9H12O2S
MW:184.255381584167
CID:1231822
PubChem ID:1735969
Update Time:2025-04-20
Ethanol, 2-[(4-methoxyphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-[(4-methoxyphenyl)thio]-
- 2-(4-methoxyphenyl)sulfanylethanol
- 4-METHOXYPHENYLTHIOETHANOL
- 13290-19-2
- SCHEMBL7207997
- DTXSID70365037
- A1-05633
- AKOS009076189
-
- MDL： MFCD03231685
- Inchi： 1S/C9H12O2S/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5,10H,6-7H2,1H3
- InChI Key： UUIPIUXSQULNPE-UHFFFAOYSA-N
- SMILES： S(CCO)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 111
- 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: 1.8
- Topological Polar Surface Area: 54.8?2
Experimental Properties
- PSA: 29.46
Ethanol, 2-[(4-methoxyphenyl)thio]- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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