2-Phenoxyethanethioamide

Base Information

• Chemical Name: 2-Phenoxyethanethioamide
• CAS No.: 35370-80-0
• Molecular Formula: C8H9NOS
• Molecular Weight: 167.232
• Hs Code.: 2930909090
• European Community (EC) Number: 678-860-7
• NSC Number: 277300
• DSSTox Substance ID: DTXSID60372598
• ChEMBL ID: CHEMBL1602541
• Mol file: 35370-80-0.mol

Synonyms:2-phenoxyethanethioamide;35370-80-0;2-Phenoxythioacetamide;MFCD00100035;NSC277300;Maybridge4_004574;MLS000834995;SCHEMBL159433;CHEMBL1602541;DTXSID60372598;XORPVBXCJIPCBQ-UHFFFAOYSA-N;HMS1533P20;HMS2799J22;2-Phenoxyethanethioamide, AldrichCPR;STL479427;AKOS000203332;NSC-277300;AS-58320;SMR000461611;CS-0136939;FT-0691829;EN300-14912;BRD-K26763379-001-01-9;Z108595128

Chemical Property of 2-Phenoxyethanethioamide

Chemical Property:

• Vapor Pressure: 0.000962mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.615
• Boiling Point: 302.9 °C at 760 mmHg
• Flash Point: 137 °C
• PSA: 67.34000
• Density: 1.206 g/cm³
• LogP: 2.05180
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.04048508
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-Phenoxyethanethioamide ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=S)N

Technology Process of 2-Phenoxyethanethioamide

There total 7 articles about 2-Phenoxyethanethioamide 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: 94.0%

phenoxyacetonitrile (3598-14-9) + thioacetamide (62-55-5) → 2-phenoxyethanethioamide (35370-80-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; N,N-dimethyl-formamide; at 100 ℃; for 16h;

DOI:10.1021/jm400650w

Reference yield:

phenoxyacetonitrile (3598-14-9) → 2-phenoxyethanethioamide (35370-80-0)

Guidance literature:

With hydrogen sulfide; ammonia;

Reference yield:

phenoxyacetic acid ethyl ester (2555-49-9) → 2-phenoxyethanethioamide (35370-80-0)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated aqueous ammonia

2: P₂O₅

3: alcoholic ammonia; H₂S

With ammonium hydroxide; hydrogen sulfide; ammonia; phosphorus pentoxide;

upstream raw materials:

phenoxyacetonitrile

methyl 2-phenoxyacetate

phenoxyacetic acid ethyl ester

phenoxyacetamide

Downstream raw materials:

4,5-dihydro-2-(phenoxymethyl)-1,3-thiazole

2,2'-[4-(2-phenoxymethyl-thiazol-4-yl)-phenylazanediyl]-bis-ethanol

4-(2-phenoxymethyl-thiazol-4-yl)-aniline

2-(phenoxymethyl)thiazole hydrobromide