3-((2-Mercapto-1-methylpropyl)thio)-2-butanol

Base Information

• Chemical Name: 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol
• CAS No.: 54957-02-7
• Molecular Formula: C₈H₁₈OS₂
• Molecular Weight: 194.362
• European Community (EC) Number: 639-065-0
• UNII: T27YXW53EF
• DSSTox Substance ID: DTXSID90866455
• Nikkaji Number: J312.365K
• Wikidata: Q27289566
• Metabolomics Workbench ID: 47735
• Mol file: 54957-02-7.mol

Synonyms:3-((2-Mercapto-1-methylpropyl)thio)-2-butanol;54957-02-7;FEMA No. 3509;3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol;roasted butanol;3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol;UNII-T27YXW53EF;2-Butanol, 3-((2-mercapto-1-methylpropyl)thio)-;T27YXW53EF;C8H18OS2;alpha-Methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide;Alpha-Methyl-Beta-Hydroxypropyl-Alpha-Methyl-Beta-Mercaptopropyl Sulfide;3-[(3-SULFANYLBUTAN-2-YL)SULFANYL]BUTAN-2-OL;2-Butanol, 3-[(2-mercapto-1-methylpropyl)thio]-;FEMA 3509;THIONOL 966;SCHEMBL3505187;DTXSID90866455;CHEBI:172910;C8-H18-O-S2;AKOS006272897;3-(3-mercaptobutan-2-ylthio)-2-butanol;3-(3-mercaptobutan-2-ylthio)butan-2-ol;3-(3-sulanylbutan-2-ylsulanyl)butan-2-ol;LS-179779;FT-0622267;3((2-mercapto-1-methylpropyl) thio)-2-butanol;A830422;Q27289566;(+/-)-3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL;a-Methyl-b-mercaptopropyl-a'-methyl-b'-hydroxypropyl sulfide;3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL, (+/-)-;.ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL .ALPHA.'-METHYL-.BETA.'-HYDROXYPROPYL SULFIDE;.ALPHA.-METHYL-.BETA.-HYDROXYPROPYL.ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL SULFIDE [FHFI]

Chemical Property of 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol

Chemical Property:

• Vapor Pressure: 0.000268mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 288 ºC at 760 mmHg
• PKA: 10.24±0.10(Predicted)
• Flash Point: 128 ºC
• PSA: 84.33000
• Density: 1.035 g/cm³
• LogP: 2.19570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.07990754
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

3-((2-Mercapto-1-methylpropyl)thio)-2-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)SC(C)C(C)S)O

Technology Process of 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol

There total 2 articles about 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol 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:

→ (S)-3-((1R,2S)-2-Mercapto-1-methyl-propylsulfanyl)-butan-2-ol (54957-02-7,57526-75-7,57526-76-8,57526-77-9,57526-78-0)

Guidance literature:

Threo-3-mercapto-2-butanol, trans-Butan-2,3-episulfid, Diethylamin;

Reference yield:

→ (S)-3-((1R,2R)-2-Mercapto-1-methyl-propylsulfanyl)-butan-2-ol (54957-02-7,57526-75-7,57526-76-8,57526-77-9,57526-78-0)

Guidance literature:

Threo-3-mercapto-2-butanol, cis-Butan-2,3-episulfid, Diethylamin;