1,3-Benzodioxole-5-carbothioamide

Base Information

• Chemical Name: 1,3-Benzodioxole-5-carbothioamide
• CAS No.: 15884-65-8
• Molecular Formula: C8H7NO2S
• Molecular Weight: 181.215
• Hs Code.: 2932999099
• European Community (EC) Number: 681-463-1
• DSSTox Substance ID: DTXSID00379824
• Wikidata: Q82169811
• Mol file: 15884-65-8.mol

Synonyms:1,3-benzodioxole-5-carbothioamide;15884-65-8;2H-1,3-benzodioxole-5-carbothioamide;BENZO[D][1,3]DIOXOLE-5-CARBOTHIOAMIDE;THIOPIPERONYLAMIDE;3,4-(METHYLENEDIOXY)THIOBENZAMIDE;1,3-Dioxaindane-5-carbothioamide;Oprea1_263949;SCHEMBL3374235;DTXSID00379824;YHXXBQMLJHUUJU-UHFFFAOYSA-N;MFCD02677739;Benzodioxole-5-carbothioic acid amide;AKOS009157759;AB12143;AS-9218;CS-0216820;FT-0606551;EN300-61833;A809970;BENZO[1,3]DIOXOLE-5-CARBOTHIOIC ACID AMIDE;W-205830;Z381430268;TJV

Chemical Property of 1,3-Benzodioxole-5-carbothioamide

Chemical Property:

• Vapor Pressure: 0.000296mmHg at 25°C
• Melting Point: 183 °C
• Refractive Index: 1.689
• Boiling Point: 321.5 °C at 760 mmHg
• Flash Point: 148.3 °C
• PSA: 76.57000
• Density: 1.424 g/cm³
• LogP: 1.74980
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.01974964
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Benzodioxole-5-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(=S)N