1679-08-9

Basic information

• Product Name: 2,2-dimethylpropanethiol
• Synonyms: 2,2-Dimethylpropanethiol; 2,2-dimethylpropane-1-thiol
• CAS NO: 1679-08-9
• Molecular Formula: C₅H₁₂S
• Molecular Weight: 104.2138
• EINECS: 216-842-9
• Mol File: 1679-08-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 96.6°C at 760 mmHg
• Flash Point: 5°C
• Density: 0.832g/cm³
• Vapor Pressure: 49.4mmHg at 25°C
• Refractive Index: 1.441
• CAS DataBase Reference: 2,2-dimethylpropanethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-dimethylpropanethiol(1679-08-9)
• EPA Substance Registry System: 2,2-dimethylpropanethiol(1679-08-9)

Safety Data

• Hazardous Substances Data: 1679-08-9(Hazardous Substances Data)

Usage

General Description

2,2-dimethylpropanethiol, also known as tert-butyl mercaptan, is a chemical compound with the formula (CH3)3CCH2SH. It is a colorless liquid with a strong, unpleasant odor similar to that of skunks or rotten cabbage. 2,2-dimethylpropanethiol is often used as a scent additive in natural gas, as its strong odor makes it easy to detect gas leaks. It is also used as a precursor to other organic compounds and as a reagent in organic synthesis. Additionally, 2,2-dimethylpropanethiol has been studied for its potential application in flavor and fragrance industries due to its unique odor characteristics. Despite its unpleasant smell, this chemical plays a valuable role in safety and industrial applications.

Upstream product

• 463-82-1 2,2-dimethylpropane 
• 81193-96-6 2,2-dimethyl-propanethial 
• 13132-23-5 2,2-dimethylpropylmagnesium chloride 
• 7704-34-9 sulfur 
• 2346-07-8 neopentyl tosylate 
• 630-17-1 2,2-dimethylpropyl bromide 
• 753-89-9 neopentyl chloride 
• 75-84-3 2,2-dimethyl-propanol-1 
• 101859-65-8 1-Ethoxy-2,2-dimethyl-propane-1-thiol 

Downstream Products

• 84850-25-9 phenacyl neopentyl sulfide 
• 6079-57-8 neopentyl methyl sulfide 
• 1574556-04-9 C₂₅H₃₁Cl₂NO₂S 
• 76697-49-9 Neopentyl-(2-nitrophenyl)-sulfon 
• 86810-75-5 Neopentyl-(4-nitrophenyl)-sulfon 
• 76697-42-2 Neopentyl-(2-nitrophenyl)-sulfid 
• 86810-74-4 1-(2,2-dimethylpropylsulfanyl)-4-nitrobenzene 
• 80319-00-2 S-(2,2-dimethylpropyl) benzenethiosulfinate 
• 928649-57-4 4-(2,2-dimethylpropane-thiomethyl)-benzonitrile 

Relevant articles and documents

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AMINO TRIAZOLES AS PI3K INHIBITORS

The invention relates to compounds of formula (I) Said compounds are useful as protein kinase inhibitors, especially inhibitors of P13K, for the treatment or prophylaxis of immunological, inflammatory, autoimmune, or allergic disorders. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the production of and use as medicaments.

Gas-phase SN2 and E2 reactions of alkyl halides

Rate coefficients have been measured for the gas-phase reactions of methyl, ethyl, n-propyl, isopropyl, tert-butyl, and neopentyl chlorides and bromides with the following set of nucleophiles, listed in order of decreasing basicity: HO-, CH3O-, F-, HO- (H2O), CF3CH2O-, H2NS-, C2F5CH2O-, HS-, and Cl-. For methyl chloride the reaction efficiency first falls significantly below unity with HO- (H2O) as the nucleophile and for methyl bromide with HS- as the nucleophile; in both cases the overall reaction exothermicity is about 30 kcal mol-1. Earlier conclusions that these halides react slowly with stronger bases are shown to be in error. In the region where the rates are slow oxygen anions react with the alkyl chlorides and bromides by elimination while sulfur anions of the same basicity react by substitution. This difference is due to a slowing down of elimination with the sulfur bases; sulfur anions show no increased nucleophilicity as compared to oxy anions of the same basicity. Rate coefficients have also been measured for reaction of methyl fluoride with HO- and CH3O- and ethylene oxide with HO-, CH3O-, and F-. All of these rates are slow but measurable; combining the results of these experiments with those of the alkyl chlorides and bromides suggests that the gas-phase barrier to the symmetrical SN2 reaction of F- with methyl fluoride is lower than previous estimates. We have also measured rates for reaction of allyl chloride with F-, H2NS-, and HS-, chloromethyl ether with H2NS- and HS-, chloroacetonitrile with F-, H2NS-, HS-, and 37Cl-, bromoacetonitrile with Cl- and 81Br-, and α-chloroacetone with H2NS-, HS-, and 37Cl-. Our results also imply that the gas-phase SN2 barrier for Br- reacting with methyl bromide is nearly equal to the ion-dipole attraction energy of the reactants, in agreement with previous estimates.