Cas no 39969-00-1 (1-Propanol, 2-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)-)
39969-00-1 structure
Product Name:1-Propanol, 2-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)-
CAS No:39969-00-1
MF:C17H22O5S
MW:338.418584346771
CID:1514917
PubChem ID:71447093
Update Time:2025-04-21
1-Propanol, 2-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol, 2-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)-
- 4-methylbenzenesulfonic acid,(2S)-2-phenylmethoxypropan-1-ol
- 4-Methylbenzene-1-sulfonic acid--(2S)-2-(benzyloxy)propan-1-ol (1/1)
- DTXSID30855429
- 39969-00-1
-
- Inchi： 1S/C10H14O2.C7H8O3S/c1-9(7-11)12-8-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9,11H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)/t9-;/m0./s1
- InChI Key： QOYCINXWQOZIPN-FVGYRXGTSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CC1C=CC=CC=1)[C@@H](C)CO
Computed Properties
- Exact Mass: 338.11886
- Monoisotopic Mass: 338.11879497g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 315
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- PSA: 83.83
1-Propanol, 2-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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