Cas no 7205-64-3 (Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-)
7205-64-3 structure
Product Name:Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-
CAS No:7205-64-3
MF:C11H16OS
MW:196.309142112732
MDL:MFCD22056034
CID:1752124
PubChem ID:641450
Update Time:2025-04-21
Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-
- InChI=1/C11H16OS/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H
- 1-tert-butylsulfanyl-4-methoxybenzene
- 1-(tert-butylthio)-4-methoxybenzene
- 7205-64-3
- HS-6263
- 1-[(1,1-Dimethylethyl)thio]-4-methoxybenzene
- 1-(tert-butylsulfanyl)-4-methoxybenzene
- tert-Butyl 4-Methoxyphenyl sulfide
- DTXSID401255638
- SCHEMBL13802153
-
- MDL: MFCD22056034
- Inchi: 1S/C11H16OS/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H3
- InChI Key: KBJHGICMTCSJHI-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)OC)C(C)(C)C
Computed Properties
- Exact Mass: 196.09228
- Monoisotopic Mass: 196.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 143
- 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: 3.4
- Topological Polar Surface Area: 34.5?2
Experimental Properties
- PSA: 9.23
Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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