Methallyl mercaptan

Base Information

• Chemical Name: Methallyl mercaptan
• CAS No.: 5954-68-7
• Molecular Formula: C4H8S
• Molecular Weight: 88.17
• DSSTox Substance ID: DTXSID70453286
• Nikkaji Number: J461.284A
• Wikidata: Q82274398
• Mol file: 5954-68-7.mol

Synonyms:Methallyl mercaptan;2-methylprop-2-ene-1-thiol;5954-68-7;2-Methyl-2-propene-1-thiol;2-methyl-2-propenethiol;2-Methylpropene-3-thiol;DTXSID70453286;UFJYVTQALAAQEQ-UHFFFAOYSA-N;MFCD00039653;AKOS006275080

Chemical Property of Methallyl mercaptan

Chemical Property:

• Vapor Pressure: 49.695mmHg at 25°C
• Refractive Index: 1.454
• Boiling Point: 96.483°C at 760 mmHg
• PKA: 9.65±0.10(Predicted)
• Flash Point: 32.802°C
• PSA: 38.80000
• Density: 0.852g/cm³
• LogP: 1.49230
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.03467143
• Heavy Atom Count: 5
• Complexity: 38.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYL-2-PROPENE-1-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CS

Technology Process of Methallyl mercaptan

There total 5 articles about Methallyl mercaptan 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:

3-Chloro-2-methylpropene (563-47-3) → 2-methyl-2-propenethiol (5954-68-7)

Guidance literature:

With sodium hydrogensulfide; water; at 70 ℃; unter Durchleiten von H₂S;

Reference yield:

2-methyl-prop-2-ene-1-thiosulfinic acid S-(2-methyl-allyl) ester (34045-98-2) → 2-methyl-2-propenethiol (5954-68-7)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/S0040-4020(01)98185-2

Reference yield:

trithiocarbonic acid bis-(2-methyl-allyl) ester (63297-99-4) → 2-methyl-2-propenethiol (5954-68-7)

Guidance literature:

With ethylenediamine;

upstream raw materials:

thiourea

3-Chloro-2-methylpropene

2-methyl-prop-2-ene-1-thiosulfinic acid S-(2-methyl-allyl) ester

trithiocarbonic acid bis-(2-methyl-allyl) ester

Downstream raw materials:

4,4-dimethyl-2-phenyl-Δ²-thiazoline

2,4,4-trimethylthiazolidine

4-Methyl-3-methylthio-2-phenyl-4-penten-2-ol

2-Methyl-2-propenyl-2,4-dinitro-phenylsulfid