Cas no 54576-37-3 (1-methyl-4-[(2-methylpropyl)sulfanyl]benzene)
![1-methyl-4-[(2-methylpropyl)sulfanyl]benzene structure](https://ossimg.kuujia.com/scimg/55000/54576-37-3x500.png)
54576-37-3 structure
Product Name:1-methyl-4-[(2-methylpropyl)sulfanyl]benzene
CAS No:54576-37-3
MF:C11H16S
MW:180.309741973877
CID:1589908
PubChem ID:41129
Update Time:2025-04-21
1-methyl-4-[(2-methylpropyl)sulfanyl]benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-[(2-methylpropyl)sulfanyl]benzene
- 1-(Isobutylsulfanyl)-4-methylbenzene
- 1-METHYL-4-((2-METHYLPROPYL)THIO)BENZENE
- Benzene, 1-methyl-4-[(2-methylpropyl)thio]-
- 1-methyl-4-(2-methylpropylsulfanyl)benzene
- Isobutyl(p-tolyl) sulfide
- DLVHVWLLAJMHDY-UHFFFAOYSA-N
- Isobutyl (p-tolyl) sulfide
- 1-(Isobutylsulfanyl)-4-methylbenzene #
- DTXSID30203002
- Isobutyl(p-tolyl)sulfide
- SCHEMBL15855667
- 54576-37-3
- DB-319667
-
- Inchi： 1S/C11H16S/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
- InChI Key： DLVHVWLLAJMHDY-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)CC(C)C
Computed Properties
- Exact Mass: 180.09738
- Monoisotopic Mass: 180.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 112
- 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: 4.1
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
1-methyl-4-[(2-methylpropyl)sulfanyl]benzene Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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