2,3-Dihydro-1-benzofuran-5-carbothioamide

Base Information

• Chemical Name: 2,3-Dihydro-1-benzofuran-5-carbothioamide
• CAS No.: 306936-08-3
• Molecular Formula: C₉H₉NOS
• Molecular Weight: 179.243
• Hs Code.: 2932999099
• European Community (EC) Number: 639-279-4
• DSSTox Substance ID: DTXSID40371140
• Wikidata: Q82158398
• ChEMBL ID: CHEMBL4212691
• Mol file: 306936-08-3.mol

Synonyms:306936-08-3;2,3-dihydro-1-benzofuran-5-carbothioamide;2,3-dihydrobenzofuran-5-carbothioamide;2,3-DIHYDROBENZO[B]FURAN-5-CARBOTHIOAMIDE;2,3-Dihydrobenzo[b]furan-5-thioamide;CHEMBL4212691;Maybridge1_008543;SCHEMBL3544882;HMS565M07;DTXSID40371140;SOAROQIQNPHLJX-UHFFFAOYSA-N;2,3-dihydrobenzofuran-5-thioamide;BDBM50455619;MFCD00728868;AKOS009159076;MS-22005;CS-0223002;FT-0609654;EN300-113514;A820537

Chemical Property of 2,3-Dihydro-1-benzofuran-5-carbothioamide

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Melting Point: 145 °C
• Refractive Index: 1.682
• Boiling Point: 334.6°Cat760mmHg
• PKA: 13.03±0.20(Predicted)
• Flash Point: 156.2°C
• PSA: 67.34000
• Density: 1.316g/cm³
• LogP: 1.95600
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.04048508
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dihydrobenzo[b]furan-5-thiocarboxamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C1C=C(C=C2)C(=S)N