Cas no 15205-65-9 (Benzenesulfonic acid,4-hydroxy-3,5-dimethyl-, sodium salt (1:1))
15205-65-9 structure
Product Name:Benzenesulfonic acid,4-hydroxy-3,5-dimethyl-, sodium salt (1:1)
CAS No:15205-65-9
MF:C8H9NaO4S
MW:224.20943236351
CID:155600
PubChem ID:23696760
Update Time:2025-04-19
Benzenesulfonic acid,4-hydroxy-3,5-dimethyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-hydroxy-3,5-dimethyl-, sodium salt (1:1)
- sodium 4-hydroxy-3,5-dimethylbenzenesulphonate
- sodium,4-hydroxy-3,5-dimethylbenzenesulfonate
- 4-Hydroxy-3,5-dimethylbenzenesulfonic acid sodium salt
- 3,5-Dimethyl-4-hydroxybenzenesulfonic acid sodium salt
- sodium;4-hydroxy-3,5-dimethylbenzenesulfonate
- DTXSID50164949
- 15205-65-9
- NS00051458
- SCHEMBL11785015
- EINECS 239-260-7
-
- Inchi： 1S/C8H10O4S.Na/c1-5-3-7(13(10,11)12)4-6(2)8(5)9;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1
- InChI Key： SOTZTDVEALQINY-UHFFFAOYSA-M
- SMILES： S(C1C=C(C)C(=C(C)C=1)O)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 224.01197
- Monoisotopic Mass: 224.011924
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 260
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 85.8
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 77.43
Benzenesulfonic acid,4-hydroxy-3,5-dimethyl-, sodium salt (1:1) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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