4-(1,3-benzodioxol-5-ylmethyl)-N-(propan-2-yl)piperazine-1-carbothioamide

Base Information

• Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(propan-2-yl)piperazine-1-carbothioamide
• CAS No.: 5545-70-0
• Molecular Formula: C16H23N3O2S
• Molecular Weight: 321.4377
• DSSTox Substance ID: DTXSID80970792
• Wikidata: Q82954044
• ChEMBL ID: CHEMBL1577492

Synonyms:Oprea1_594344;MLS001018412;CHEMBL1577492;DTXSID80970792;HMS1763P03;HMS2644A18;STK116394;AKOS001048477;SMR000354633;SR-01000118786;SR-01000118786-1;Z45829220;4-(1,3-benzodioxol-5-ylmethyl)-N-(propan-2-yl)piperazine-1-carbothioamide;4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-(PROPAN-2-YL)PIPERAZINE-1-CARBOTHIOAMIDE;4-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(propan-2-yl)piperazine-1-carboximidothioic acid

Chemical Property of 4-(1,3-benzodioxol-5-ylmethyl)-N-(propan-2-yl)piperazine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 1.91E-07mmHg at 25°C
• Boiling Point: 425.4°Cat760mmHg
• Flash Point: 211.1°C
• Density: 1.239g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 321.15109816
• Heavy Atom Count: 22
• Complexity: 386

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

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