Cas no 3019-19-0 (Benzene,[(1,1-dimethylethyl)thio]-)
Benzene,[(1,1-dimethylethyl)thio]- (CAS 14162-31-7) is a sulfur-containing aromatic compound characterized by the presence of a tert-butylthio substituent on the benzene ring. This structural feature imparts steric hindrance and enhanced stability, making it useful in organic synthesis and specialty chemical applications. The tert-butylthio group contributes to unique reactivity patterns, particularly in electrophilic aromatic substitution and metal-catalyzed coupling reactions. Its lipophilic nature also suggests potential utility in the development of agrochemicals or pharmaceuticals where controlled solubility is required. The compound’s well-defined molecular structure allows for precise modifications in synthetic pathways. Proper handling is advised due to the potential sensitivity of the thioether moiety under oxidative conditions.
![Benzene,[(1,1-dimethylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/3500/3019-19-0x500.png)
3019-19-0 structure
Product Name:Benzene,[(1,1-dimethylethyl)thio]-
CAS No:3019-19-0
MF:C10H14S
MW:166.283161640167
MDL:MFCD00092275
CID:308519
PubChem ID:137798
Update Time:2025-11-03
Benzene,[(1,1-dimethylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,[(1,1-dimethylethyl)thio]-
- ((1,1-dimethylethyl)thio)-Benzene
- Phenyl tert-butyl sulfide
- Sulfide, tert-butyl phenyl
- tert-Butyl Phenyl sulfide
- AKOS006243103
- 3019-19-0
- tert-butylsulfanylbenzene
- InChI=1/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H
- Benzene, [(1,1-dimethylethyl)thio]-
- (tert-Butylsulfanyl)benzene #
- t-butyl phenyl sulfide
- Benzene, ((1,1-dimethylethyl)thio)-
- t-butylthiobenzene
- SCHEMBL575613
- DTXSID30184261
-
- MDL： MFCD00092275
- Inchi： 1S/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key： VEUCZKAZCRSEMP-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 166.08172
- Monoisotopic Mass: 166.081621
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 107
- 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: 2.8
- Topological Polar Surface Area: 25.3
Experimental Properties
- Density: 0.97
- Boiling Point: 229°Cat760mmHg
- Flash Point: 91°C
- Refractive Index: 1.538
- PSA: 0
Benzene,[(1,1-dimethylethyl)thio]- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1815976-1g |
Tert-Butyl phenyl sulfide |
3019-19-0 | 98% | 1g |
￥8611.00 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1815976-5g |
Tert-Butyl phenyl sulfide |
3019-19-0 | 98% | 5g |
￥24312.00 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1815976-10g |
Tert-Butyl phenyl sulfide |
3019-19-0 | 98% | 10g |
￥26196.00 | 2024-08-02 |
Benzene,[(1,1-dimethylethyl)thio]- Related Literature
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Veronika Novakova,Petra Reimerova,Jan Svec,Daniel Suchan,Miroslav Miletin,Hannah M. Rhoda,Victor N. Nemykin,Petr Zimcik Dalton Trans. 2015 44 13220
-
P. B. D. de la Mare,C. A. Vernon J. Chem. Soc. 1956 41
-
Manash Protim Gogoi,Rajeshwer Vanjari,B. Prabagar,Shengwen Yang,Shubham Dutta,Rajendra K. Mallick,Vincent Gandon,Akhila K. Sahoo Chem. Commun. 2021 57 7521
-
Alfred B?aszczyk,Mark Elbing,Marcel Mayor Org. Biomol. Chem. 2004 2 2722
-
5. Nickel-catalysed substitutions of aryl tert-butyl sulfones with organometallic reagents: synthesis of ortho-substituted unsymmetrical biarylsJonathan Clayden,J. Jonathan A. Cooney,Marc Julia J. Chem. Soc. Perkin Trans. 1 1995 7
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