1-Propene-1-thiol

Base Information

• Chemical Name: 1-Propene-1-thiol
• CAS No.: 925-89-3
• Molecular Formula: C3H6S
• Molecular Weight: 74.1466
• Nikkaji Number: J514.339J
• Wikidata: Q76305398
• Metabolomics Workbench ID: 60767
• Mol file: 925-89-3.mol

Synonyms:1-Propene-1-thiol;1-propenethiol;prop-1-ene-1-thiol;1-Propenylthiol;propene-1-thiol;(E)-prop-1-ene-1-thiol;925-89-3;(1E)-1-Propene-1-thiol;1-mercaptopropene;Thiopropionaldehyde;1-Mercapto-1-propene;CHEBI:59723;RIZGKEIRSQLIBK-NSCUHMNNSA-N;Q27126870

Chemical Property of 1-Propene-1-thiol

Chemical Property:

• Vapor Pressure: 153mmHg at 25°C
• Boiling Point: 68.3°C at 760 mmHg
• Density: 0.864g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.01902136
• Heavy Atom Count: 4
• Complexity: 22.5

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CS
• Isomeric SMILES: C/C=C/S

Technology Process of 1-Propene-1-thiol

There total 10 articles about 1-Propene-1-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: 91.0%

Bis(1-propenyl) disulfide (53925-82-9) → Prop-1-en-1-thiol (925-89-3)

Guidance literature:

With tri-n-butyl-tin hydride; In various solvent(s); under 0.0750075 Torr;

DOI:10.1039/b002886j

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) → Prop-1-en-1-thiol (925-89-3)

Guidance literature:

With hydrogen sulfide; for 0.05h; Ambient temperature; Irradiation;

DOI:10.1016/0022-2860(87)80041-8

upstream raw materials:

propene

diethyltetrasulfane

1-ethylsulfanyl-propene

bis-(1-propenyl) sulfide

Downstream raw materials:

dichloro-thioacetic acid S-(2-chloro-propyl ester)

S-2-bromopropyl thioacetate

thioacetic acid S-(2-iodo-propyl ester)

thiopropionic acid S-(2-bromo-propyl ester)

Refernces

• 1、 Macdonald, John N.,Owen, Noel L.,Rosolini, M.. "E-PROPENE-1-THIOL: VIBRATION AND ROTATION SPECTRA AND MOLECULAR CONFORMATION". . p. 229 - 242. Retrieved 1987.
• 2、 Deryagina,Sukhomazova,Levanova,Shilkina,Korchevin. "Initiation of thermal reactions of sulfur compounds by dialkyl selenides". . p. 359 - 363. Retrieved 2007/10/03.