Cas no 31197-50-9 (Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester)
![Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester structure](https://ossimg.kuujia.com/scimg/31500/31197-50-9x500.png)
31197-50-9 structure
Product Name:Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester
CAS No:31197-50-9
MF:C20H26O2S2
MW:362.549243450165
CID:305304
PubChem ID:316001
Update Time:2025-04-19
Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester
- 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanylbenzene
- 4-tert-butyl-benzenethiosulfonic acid S-(4-tert-butyl-phenyl ester)
- 4-tert-Butyl-benzolthiosulfonsaeure-S-(4-tert-butyl-phenylester)
- AC1L7SXE
- CHEMBL120540
- NSC243179
- S-(4-tert-butylphenyl) (4-tert-butylbenzene)thiosulfonate
- S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate
- S-(p-tert-butylphenyl)-p-tertbutylbenzenethiosulphonate
- NSC 243179
- Benzenesulfonothioic acid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester
- 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanyl-benzene
- 31197-50-9
- NSC-243179
- DTXSID00185124
-
- Inchi： 1S/C20H26O2S2/c1-19(2,3)15-7-11-17(12-8-15)23-24(21,22)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3
- InChI Key： LNSCDFKIZQSIQL-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C(C)(C)C)(=O)(=O)SC1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 362.13758
- Monoisotopic Mass: 362.13742241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 489
- 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: 6.5
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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