2-Methyl-1-butanethiol

Base Information

• Chemical Name: 2-Methyl-1-butanethiol
• CAS No.: 1878-18-8
• Deprecated CAS: 110549-12-7
• Molecular Formula: C₅H₁₂S
• Molecular Weight: 104.216
• Hs Code.: 29309090
• European Community (EC) Number: 217-515-3
• UNII: 8ZRO873BR6
• DSSTox Substance ID: DTXSID50862771
• Nikkaji Number: J44.080I
• Wikidata: Q27271254
• Metabolomics Workbench ID: 46945
• Mol file: 1878-18-8.mol

Synonyms:2-Methyl-1-butanethiol;1878-18-8;2-Methylbutane-1-thiol;1-Butanethiol, 2-methyl-;2-Methylbutanethiol;FEMA No. 3303;2-methyl-1-butane thiol;1-mercapto-2-methylbutane;UNII-8ZRO873BR6;8ZRO873BR6;EINECS 217-515-3;2-methyl-butanethiol;SCHEMBL23815;CH3CH2CH(CH3)CH2SH;2-Methyl-1-butanethiol, 95%;FEMA 3303;DTXSID50862771;CHEBI:173326;MFCD00004883;AKOS015897557;2-METHYL-1-BUTANETHIOL [FHFI];2-Methyl-1-butanethiol, >=95%, FG;(+/-)-2-METHYL-1-BUTANETHIOL;FT-0659841;M1041;D91431;EN300-105388;J-012089;Q27271254

Chemical Property of 2-Methyl-1-butanethiol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 41.4 mm Hg ( 37.7 °C)
• Melting Point: -109.95°C (estimate)
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 114.8 °C at 760 mmHg
• PKA: 10.41±0.10(Predicted)
• Flash Point: 19.4 °C
• PSA: 38.80000
• Density: 0.83 g/cm³
• LogP: 1.96230
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1-butanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi, Xn
• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-20/21/22
• Safety Statements: 16-26-33-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CS
• Description: Prepared from 2-methyl-1-butyl isothiourea picrate by conversion to bis [(s)-2-methylbutyl] disulfide, followed by reduction to the corresponding thiol, using sodium metal in liquid ammonia.
• Uses: 2-Methyl-1-butanethiol is a thiol with antiinflammatory properties.

Technology Process of 2-Methyl-1-butanethiol

There total 4 articles about 2-Methyl-1-butanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-methyl-1-butanethiol (20089-07-0,110549-12-7,1878-18-8)

Guidance literature:

With ethanol; potassium hydrosulfide; d-2-methyl-butanethiol-(1); im geschlossenen Gefaess;

Reference yield:

→ 2-methyl-1-butanethiol (20089-07-0,110549-12-7,1878-18-8)

Guidance literature:

With ethanol; potassium hydrosulfide; active pentyl mercaptan;

Reference yield:

→ 2-methyl-1-butanethiol (20089-07-0,110549-12-7,1878-18-8)

Guidance literature:

With hydrogen sulfide; water; d-2-methyl-butanethiol-(1); man versetzt mit Kaliumhydrosulfid und destilliert im Schwefelwasserstoffstrom;

upstream raw materials:

1-bromo-2-methyl-butane

Downstream raw materials:

methyl 3-(2-methylbutylthio)benzoate

4(4-methoxyphenyl)(2-methylbutyl)sulfane

1-chloro-1-(2-methylbutylthio)-1-[(4-methylphenyl)sulfonyl]propane

(E)-1-(2-methylbutylthio)-1-[(4-methylphenyl)sulfonyl]propene