Cas no 87806-71-1 (Benzenesulfonyl chloride, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-)
87806-71-1 structure
Product Name:Benzenesulfonyl chloride, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
CAS No:87806-71-1
MF:C14H21ClO3S
MW:304.832742452621
CID:652146
PubChem ID:15332942
Update Time:2025-04-19
Benzenesulfonyl chloride, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
- 3,5-ditert-butyl-4-hydroxybenzenesulfonyl chloride
- SCHEMBL4894218
- 87806-71-1
- 3,5-di-t-butyl-4-hydroxybenzenesulfonyl chloride
- DTXSID70571636
- 3,5-Di-tert-butyl-4-hydroxybenzene-1-sulfonyl chloride
- TXEPTQFZJZTOIQ-UHFFFAOYSA-N
- 3,5-di-tert-butyl-4-hydroxy-benzenesulfonyl chloride
- 3,5-di-tertiary-butyl-4-hydroxybenzenesulfonyl chloride
-
- Inchi： 1S/C14H21ClO3S/c1-13(2,3)10-7-9(19(15,17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
- InChI Key： TXEPTQFZJZTOIQ-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C(=C(C=1)C(C)(C)C)O)C(C)(C)C)(=O)=O
Computed Properties
- Exact Mass: 304.0899934g/mol
- Monoisotopic Mass: 304.0899934g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 387
- 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: 4.9
- Topological Polar Surface Area: 62.8?2
Benzenesulfonyl chloride, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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