Cas no 68880-56-8 ( )
structure
Product Name:
CAS No:68880-56-8
MF:C13H20O3S
MW:256.361103057861
CID:972405
PubChem ID:317684
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethyl-1-butyltosylate; 3, 4-METHYLBENZENESULFONATE; AGN-PC-0030EG; 1-(p-toluenesulfonyloxy)-3,3-dimethylbutane; NSC250984; homoneopentyl tosylate; 3,3-Dimethylbutyltosylat; AC1L7WIH; 3,3-Dimethyl-butyl-1-tosylat; 3,3-dimethylbutyl tosylate; (2,2-dideuterio-3,3-dimethylbutyl) 4-methylbenzenesulfonate; 3,3-dimethylbutyl toluene-p-sulfonate;
- 3,3-dimethylbutyl 4-methylbenzene-1-sulfonate
- NSC250984
- 3, 4-METHYLBENZENESULFONATE
- NSC-250984
- SCHEMBL6002078
- EN300-7142817
- 68880-56-8
- DTXSID60312171
- 1-(3,3-Dimethylbutoxysulfonyl)-4-methyl-benzene
- DS-008007
-
-
- Inchi： 1S/C13H20O3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-9-13(2,3)4/h5-8H,9-10H2,1-4H3
- InChI Key： XUCWOJZNDILAOI-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCCC(C)(C)C
Computed Properties
- Exact Mass: 256.1134
- Monoisotopic Mass: 256.11331567g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 314
- 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: 3.5
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7142817-0.05g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 0.05g |
$323.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-0.1g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 0.1g |
$339.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-0.25g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 0.25g |
$354.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-0.5g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 0.5g |
$370.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-1.0g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 1g |
$385.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-2.5g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 2.5g |
$754.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-5.0g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 5g |
$1115.0 | 2023-05-30 | ||
| Enamine | EN300-7142817-10.0g |
3,3-dimethylbutyl 4-methylbenzene-1-sulfonate |
68880-56-8 | 10g |
$1654.0 | 2023-05-30 |
Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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