1,2-Propanedithiol

Base Information

• Chemical Name: 1,2-Propanedithiol
• CAS No.: 814-67-5
• Deprecated CAS: 108061-07-0,61842-55-5
• Molecular Formula: C3H8 S2
• Molecular Weight: 108.229
• Hs Code.: 2930909090
• European Community (EC) Number: 212-398-5
• NSC Number: 72085
• UNII: GS64223D79
• DSSTox Substance ID: DTXSID80862421
• Nikkaji Number: J43.574K
• Wikipedia: 1,2-Propanedithiol
• Wikidata: Q4545659
• Metabolomics Workbench ID: 45002
• Mol file: 814-67-5.mol

Synonyms:1,2-dimercaptopropane;1,2-propanedithiol

Chemical Property of 1,2-Propanedithiol

Chemical Property:

• Vapor Pressure: 3.94mmHg at 25°C
• Melting Point: -79°C (estimate)
• Refractive Index: 1.5260 to 1.5380
• Boiling Point: 35°C
• PKA: 9.80±0.10(Predicted)
• Flash Point: 35 °C
• PSA: 77.60000
• Density: 1,063 g/cm³
• LogP: 1.23450
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.00674260
• Heavy Atom Count: 5
• Complexity: 20.9

Purity/Quality:

99% ^*data from raw suppliers

1,2-Propanedithiol >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CS)S
• Physical Characteristics: 1,2-Propanedithiol is described as a colorless, intensely odorous liquid with chiral properties.
• Chemical Structure: 1,2-Propanedithiol, also known as 1,2-dimercaptopropane, It's molecular structure consists of a propane backbone with two thiol (-SH) groups attached at the 1 and 2 positions.
• Uses: 1,2-Propanedithiol is primarily used as a pharmaceutical intermediate in synthesis processes.

Technology Process of 1,2-Propanedithiol

There total 11 articles about 1,2-Propanedithiol 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:

hydrogen sulfide (7783-06-4) + prop-1-yne (74-99-7) → 1,2-propanedithiol (814-67-5) + Prop-1-en-1-thiol (925-89-3)

Guidance literature:

other Radiation; by X-ray, a polymeric oil also forms;

DOI:10.1021/ja00890a030

Reference yield:

prop-1-yne (74-99-7) → 1,2-propanedithiol (814-67-5)

Guidance literature:

With hydrogen sulfide; (X-irradiation);

DOI:10.1021/ja00890a030

Reference yield:

1-amino-2-propanethiol (598-36-7) → 1,2-propanedithiol (814-67-5)

Guidance literature:

With ammonium hydroxide; hydrogen sulfide; at 90 ℃; for 16h;

DOI:10.1021/jo01288a007

upstream raw materials:

1,2-Dibromopropane

1,2-bis-thiocyanato-propane

Prop-1-en-1-thiol

allyl bromide

Downstream raw materials:

2-[4-(4-methyl-[1,3]dithiolan-2-yl)-styryl]-5-nitro-1-vinyl-1H-imidazole

4-Methyl-2-(1-phenyl-ethyl)-[1,3]dithiolane

N-(4-Methyl-1,3-dithiolan-2-yliden)-4-nitrobenzamid

thioacetone

Refernces