2,3-Dihydro-1,4-benzodioxine-5-carbothioamide

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxine-5-carbothioamide
• CAS No.: 690632-23-6
• Molecular Formula: C9H9NO2S
• Molecular Weight: 195.24
• DSSTox Substance ID: DTXSID10383533
• Wikidata: Q82175300
• Mol file: 690632-23-6.mol

Synonyms:2,3-dihydro-1,4-benzodioxine-5-carbothioamide;690632-23-6;2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-5-CARBOTHIOAMIDE;2,3-Dihydrobenzo[b][1,4]dioxine-5-carbothioamide;SCHEMBL22057581;DTXSID10383533;AKOS006283481;A3815;CS-0355704;FT-0702185;EN300-1842745;J-506973

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-5-carbothioamide

Chemical Property:

• Vapor Pressure: 4.75E-05mmHg at 25°C
• Refractive Index: 1.655
• Boiling Point: 349.3°C at 760 mmHg
• PKA: 12.44±0.20(Predicted)
• Flash Point: 165°C
• PSA: 76.57000
• Density: 1.347g/cm³
• LogP: 1.79230
• XLogP3: 1.1
• 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:

98%min ^*data from raw suppliers

2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=CC=C2O1)C(=S)N