Pent-4-yne-1-thiol

Base Information Edit

Chemical Name:Pent-4-yne-1-thiol
CAS No.:77213-88-8
Molecular Formula:C5H8S
Molecular Weight:100.185
Hs Code.:
DSSTox Substance ID:DTXSID10504064
Wikidata:Q82358293
Mol file:77213-88-8.mol

Synonyms:4-Pentyne-1-thiol;PENT-4-YNE-1-THIOL;77213-88-8;4-Pentyne-1-thiol (>90per cent);SCHEMBL129908;DTXSID10504064;FT-0673567;EN300-6302056

Suppliers and Price of Pent-4-yne-1-thiol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Pentyne-1-thiol(>90%)
250mg
$ 1190.00

Medical Isotopes, Inc.
4-Pentyne-1-thiol(>90%)
2.5 g
$ 2200.00

Total 2 raw suppliers

Chemical Property of Pent-4-yne-1-thiol Edit

Chemical Property:

Boiling Point:41 °C(Press: 15 Torr)
PKA:10.11±0.10(Predicted)
PSA：38.80000
Density:0.920±0.06 g/cm3(Predicted)
LogP:1.32960
Storage Temp.:Amber Vial, -86°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:100.03467143
Heavy Atom Count:6
Complexity:57.6

Purity/Quality:

99% ^*data from raw suppliers

4-Pentyne-1-thiol(>90%) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCCCS
Uses 4-Pentyne-1-thiol is an acetylenic thiol used in Prostaglandin preparation.

Technology Process of Pent-4-yne-1-thiol

There total 4 articles about Pent-4-yne-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: 80.0%

: 524689-75-6
S-pent-4-yn-1-yl ethanethioate

: 77213-88-8
pent-4-yne-1-thiol

Guidance literature:: With sodium thiomethoxide; In methanol; at 20 ℃; for 1h;
DOI:10.1021/ol034252r

Reference yield: 70.0%

: 77213-73-1
2-Pent-4-ynyl-isothiourea; hydrochloride

: 77213-88-8
pent-4-yne-1-thiol

Guidance literature:: With ammonium hydroxide; hydroquinone; at 40 - 45 ℃; for 4h;

Reference yield:

: 68275-03-6
pent-4-yn-1-yl methanesulfonate

: 77213-88-8
pent-4-yne-1-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 50 °C

2: sodium thiomethoxide / methanol / 20 °C

With sodium thiomethoxide; In methanol; N,N-dimethyl-formamide;