Cas no 59970-38-6 (4-t-butylphenyl methanesulfonate)
59970-38-6 structure
Product Name:4-t-butylphenyl methanesulfonate
CAS No:59970-38-6
MF:C11H16O3S
MW:228.307942390442
CID:3040337
PubChem ID:5159894
Update Time:2025-04-21
4-t-butylphenyl methanesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 4-t-butylphenyl methanesulfonate
- 4-(tert-butyl)phenyl methanesulfonate;4-tBuC6H4OMs;4-tert-butylphenyl methanesulfonate;4-tert-butylphenyl mesylate;para-tert-butylphenyl methanesulfonate;p-tert.Butylphenyl Methansulfonat;
- 4-(tert-Butyl)phenyl methanesulfonate
- 660-068-8
- AVIDGKOMVYPADX-UHFFFAOYSA-N
- 4-tert-butylphenyl methanesulfonate
- SCHEMBL2990592
- AKOS024339561
- 59970-38-6
-
- Inchi： 1S/C11H16O3S/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3
- InChI Key： AVIDGKOMVYPADX-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)OC1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 228.08200
- Monoisotopic Mass: 228.08201554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 287
- 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: 2.9
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.75000
- LogP: 3.40330
4-t-butylphenyl methanesulfonate Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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