2-Pentanethiol

Base Information

• Chemical Name: 2-Pentanethiol
• CAS No.: 2084-19-7
• Molecular Formula: C5H12 S
• Molecular Weight: 104.216
• Hs Code.: 2930909090
• European Community (EC) Number: 218-224-4
• UNII: 529XY6M4QX
• DSSTox Substance ID: DTXSID00862827
• Nikkaji Number: J121.680E
• Wikidata: Q27260987
• Metabolomics Workbench ID: 49229
• Mol file: 2084-19-7.mol

Synonyms:2-Pentanethiol;Pentane-2-thiol;2084-19-7;2-Mercaptopentane;1-Methylbutanethiol;sec-Amyl mercaptan;2-mercapto pentane;FEMA No. 3792;529XY6M4QX;2-Pentylthiol;Amyl mercaptan, sec-;(+/-)-2-Pentanethiol;UNII-529XY6M4QX;SCHEMBL23737;1-Methylbutyl hydrosulfide #;2-PENTANETHIOL [FHFI];DTXSID00862827;CHEBI:173241;EINECS 218-224-4;AKOS009255896;FT-0657509;EN300-211446;A814965;Q27260987

Chemical Property of 2-Pentanethiol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 23.2mmHg at 25°C
• Melting Point: -169ºC
• Refractive Index: n20/D 1.4410(lit.)
• Boiling Point: 114.8 °C at 760 mmHg
• PKA: 10.96±0.10(Predicted)
• Flash Point: 15 °C
• PSA: 38.80000
• Density: 0.83 g/cm³
• LogP: 2.10480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

99% ^*data from raw suppliers

2-MERCAPTO PENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)S

Technology Process of 2-Pentanethiol

There total 8 articles about 2-Pentanethiol 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:

1-penten (109-67-1) → pentane-2-thiol (2084-19-7) + pentane-3-thiol (616-31-9) + n-pentanethiol (110-66-7)

Guidance literature:

With hydrogen sulfide; TK-554 catalyst; at 120 - 220 ℃; Product distribution / selectivity;

Reference yield:

2-bromopentane (107-81-3) → pentane-2-thiol (2084-19-7)

Guidance literature:

With ethanol; potassium hydrosulfide; zuletzt bei Siedetemperatur;

Reference yield:

(+/-)-2-pentanol (6032-29-7,13403-73-1) → pentane-2-thiol (2084-19-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrobromic acid

2: alcohol; KHS / zuletzt bei Siedetemperatur

With ethanol; hydrogen bromide; potassium hydrosulfide;

upstream raw materials:

2-bromopentane

2-pentylamine

(+/-)-2-pentanol

2-pentene

Downstream raw materials:

2-pentanesulfonic acid

pentane-2-sulfonyl chloride

Refernces

• 1、 Polster, Johannes,Schieberle, Peter. "Structure-odor correlations in homologous series of alkanethiols and attempts to predict odor thresholds by 3d-qsar studies". . p. 1419 - 1432. Retrieved 2015/03/05.
• 2、 Zhao,Prins. "Mechanisms of the hydrodenitrogenation of alkylamines with secondary and tertiary α-carbon atoms on sulfided NiMo/Al2O3". . p. 532 - 544. Retrieved 2007/10/03.