Thiiranemethanethiol

Base Information

• Chemical Name: Thiiranemethanethiol
• CAS No.: 4755-98-0
• Molecular Formula: C16H12FNO2S
• Molecular Weight: 301.3354
• DSSTox Substance ID: DTXSID50963873
• Nikkaji Number: J801.562G
• Mol file: 4755-98-0.mol

Synonyms:Thiiranemethanethiol;2-Thiiranemethanethiol;BRL 482;(Mercaptomethyl)thiirane;2,3-Epithio-1-propanethiol;1-Propanethiol, 2,3-epithio-;BRN 0102465;4755-98-0;thiiran-2-ylmethanethiol;Thiirane-2-methanethiol;(Thiiran-2-yl)methanethiol;Thiiran-2-ylmethane-1-thiol;SCHEMBL1024717;DTXSID50963873;LS-121028

Chemical Property of Thiiranemethanethiol

Chemical Property:

• Vapor Pressure: 5.57E-09mmHg at 25°C
• Boiling Point: 469.3°C at 760 mmHg
• Flash Point: 237.6°C
• Density: 1.389g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 105.99109254
• Heavy Atom Count: 5
• Complexity: 35.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(S1)CS

Technology Process of Thiiranemethanethiol

There total 5 articles about Thiiranemethanethiol 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: 71.0%

2,3-dimercaptopropanol (59-52-9) → thiiranemethanethiol (4755-98-0)

Guidance literature:

With potassium hydrogensulfate; at 130 - 150 ℃; under 10 Torr;

Reference yield:

→ thiiranemethanethiol (4755-98-0)

Guidance literature:

With water; sodium hydrogencarbonate; at 60 ℃;

DOI:10.1039/jr9520000817

Reference yield:

1,2,3-propanetrithiol (4756-13-2) → thiiranemethanethiol (4755-98-0)

Guidance literature:

at 140 ℃;

upstream raw materials:

2,3-dimercaptopropanol

1,2,3-propanetrithiol

acetic acid-(2,3-dimercapto-propyl ester)

Downstream raw materials:

S-allyl 3-phenylpropanethioate

Refernces

• 1、 Marstokk, K.-M.,Moellendal, Harald,Stenstroem, Yngve. "Conformational Composition in the Gas Phase and in Solution, Structure and Intramolecular Hydrogen Bonding of Thiiranemethanethiol as Studied by Microwave and NMR Spectroscopy and Ab Initio Calculations". . p. 711 - 719. Retrieved 2007/10/02.