2-Methylpentane-2-thiol

Base Information

• Chemical Name: 2-Methylpentane-2-thiol
• CAS No.: 1633-97-2
• Molecular Formula: C6H14 S
• Molecular Weight: 118.243
• Hs Code.: 2930909090
• European Community (EC) Number: 247-771-1,216-651-0
• UNII: YRZ9KLW85B
• DSSTox Substance ID: DTXSID00167561
• Nikkaji Number: J98.164H
• Wikidata: Q83036956
• Mol file: 1633-97-2.mol

Synonyms:2-Methylpentane-2-thiol;2-Methyl-2-pentanethiol;1633-97-2;tert-Hexanethiol;2-PENTANETHIOL, 2-METHYL-;26544-02-5;tert-Hexanethiol(7CI,9CI);EINECS 216-651-0;YRZ9KLW85B;EINECS 247-771-1;T-Hexyl Mercaptan;tert-Hexyl mercaptan;UNII-YRZ9KLW85B;SCHEMBL23906;DTXSID00167561;1,1-Dimethylbutyl hydrosulfide #;AKOS006279127;FT-0691756;EN300-179951

Chemical Property of 2-Methylpentane-2-thiol

Chemical Property:

• Vapor Pressure: 15.8mmHg at 25°C
• Melting Point: -113.76°C (estimate)
• Refractive Index: 1.4293 (estimate)
• Boiling Point: 123.9°Cat760mmHg
• PKA: 11.40±0.10(Predicted)
• Flash Point: 20°C
• PSA: 38.80000
• Density: 0.834g/cm³
• LogP: 2.49490
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 118.08162162
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methylpentane-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C)S

Technology Process of 2-Methylpentane-2-thiol

There total 11 articles about 2-Methylpentane-2-thiol 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:

C8H16OS → 2-methylpentane-2-thiol (1633-97-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jf506135c

Reference yield:

2-methylpentan-2-ol (590-36-3) → 2-methylpentane-2-thiol (1633-97-2)

Guidance literature:

Multistep reaction; (i) thiourea, aq. HBr, (ii) aq. TsOH, (iii) aq. NaOH, NaCN;

DOI:10.1039/jr9620005040

Reference yield:

S-(1,1-dimethylbutyl)thiuronium toluene-p-sulfonate → 2-methylpentane-2-thiol (1633-97-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01047a033

upstream raw materials:

2-methyl-2-pentene

(1,1-dimethyl-butylsulfanylmethyl)-benzene

methyl magnesium iodide

Dithiobuttersaeuremethylester