2,3-Dihydro-1,4-benzodioxine-6-carbothioamide

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide
• CAS No.: 337508-71-1
• Molecular Formula: C₉H₉NO₂S
• Molecular Weight: 195.242
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00381482
• Wikidata: Q72464522
• Mol file: 337508-71-1.mol

Synonyms:2,3-dihydro-1,4-benzodioxine-6-carbothioamide;337508-71-1;2,3-Dihydrobenzo[b][1,4]dioxine-6-carbothioamide;Oprea1_728291;SCHEMBL16526944;DTXSID00381482;CCG-55582;MFCD02682020;AKOS009157480;CS-0259690;FT-0609638;EN300-73916;A851602;SR-01000644600-1;2,3-dihydro-1,4-benzodioxine-6-carbothioamide, AldrichCPR

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide

Chemical Property:

• Vapor Pressure: 9.35E-05mmHg at 25°C
• Melting Point: 140.2oC
• Boiling Point: 339.2oC at 760 mmHg
• PKA: 12.76±0.20(Predicted)
• Flash Point: 158.9oC
• PSA: 76.57000
• Density: 1.347g/cm3
• LogP: 1.79230
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.03539970
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

2,3-dihydro-1,4-benzodioxine-6-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C(=S)N

Technology Process of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide

There total 1 articles about 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide 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:

2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile (19102-07-9) → 2,3-dihydrobenzo[b][1,4]dioxine-6-carbothioamide (337508-71-1)

Guidance literature:

With hydrogenchloride; thioacetamide; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1021/jm00002a017

upstream raw materials:

2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile