Cas no 58818-96-5 (Phenol, 4-[(1,1-dimethylethyl)thio]-)
![Phenol, 4-[(1,1-dimethylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/59000/58818-96-5x500.png)
58818-96-5 structure
Product Name:Phenol, 4-[(1,1-dimethylethyl)thio]-
CAS No:58818-96-5
MF:C10H14OS
MW:182.282561779022
CID:340789
PubChem ID:18521346
Update Time:2025-04-19
Phenol, 4-[(1,1-dimethylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[(1,1-dimethylethyl)thio]-
- 4-tert-butylsulfanylphenol
- 4-(tert-Butylsulfanyl)phenol
- DTXSID60594394
- SCHEMBL2480563
- 58818-96-5
-
- Inchi： 1S/C10H14OS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,11H,1-3H3
- InChI Key： BWICWBUSAUOHAM-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)O)C(C)(C)C
Computed Properties
- Exact Mass: 182.07662
- Monoisotopic Mass: 182.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 131
- 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: 3.1
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 20.23
Phenol, 4-[(1,1-dimethylethyl)thio]- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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