Cas no 53584-22-8 (Benzenethiol,(1,1-dimethylethyl)-)
53584-22-8 structure
Product Name:Benzenethiol,(1,1-dimethylethyl)-
CAS No:53584-22-8
MF:C10H14S
MW:166.283161640167
CID:370574
PubChem ID:2795032
Update Time:2025-04-19
Benzenethiol,(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol,(1,1-dimethylethyl)-
- tert-Butylbenzenethiol
- 2-(2-Methyl-2-propanyl)benzenethiol
- 2-(tert-Butyl)phenyl mercaptan
- DTXSID00383527
- 2-tertbutylbenzenethiol
- 2-(tert-Butyl)thiophenol
- 2-t-butylbenzenethiol
- NS00058746
- Benzenethiol, o-tert-butyl-
- CS-0119981
- Benzenethiol, 2-(1,1-dimethylethyl)-
- thiyl t-butylbenzene
- AKOS015908640
- UNII-7KA8Q65UQU
- 2-tert-butylbenzenethiol
- 2-t-butyl-thiophenol
- 2-tert-butylbenzene-1-thiol
- o-tert-Butylbenzenethiol
- 2-TERT-BUTYLTHIOPHENOL
- FT-0613431
- EINECS 258-646-6
- 2-(tert-Butyl)benzenethiol
- GEO-04077
- SCHEMBL732202
- 19728-41-7
- 2-tert-Butylthiophenol, AldrichCPR
- EN300-1845683
- A813899
- 53584-22-8
- 7KA8Q65UQU
- Benzenethiol,2-(1,1-dimethylethyl)-
- 2-tert-butyl-benzenethiol
- 2-(1,1-Dimethylethyl)benzenethiol
-
- Inchi： 1S/C10H14S/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
- InChI Key： BKMGLHQPYYCKPO-UHFFFAOYSA-N
- SMILES： SC1C=CC=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 166.08172
- Monoisotopic Mass: 166.082
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- 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: 3.8
- Topological Polar Surface Area: 1A^2
Experimental Properties
- Density: 0.985g/cm3
- Boiling Point: 229.1oC at 760mmHg
- Flash Point: 95.9oC
- Refractive Index: 1.5600
- PSA: 0
- LogP: 3.27280
Benzenethiol,(1,1-dimethylethyl)- Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
53584-22-8 (Benzenethiol,(1,1-dimethylethyl)-) Related Products
- 19728-41-7(2-tert-butylbenzene-1-thiol)
- 4500-58-7(2-Ethylbenzenethiol)
- 6262-87-9(2-Isopropylbenzenethiol)
- 15570-10-2(4-tert-Butyl-2-methylthiophenol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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