4-Prop-2-enylpiperazine-1-carbothioamide

Base Information

• Chemical Name: 4-Prop-2-enylpiperazine-1-carbothioamide
• CAS No.: 40546-27-8
• Molecular Formula: C8 H15 N3 S
• Molecular Weight: 185.29
• DSSTox Substance ID: DTXSID70406292
• Wikidata: Q82211200
• Mol file: 40546-27-8.mol

Synonyms:40546-27-8;4-prop-2-enylpiperazine-1-carbothioamide;1-Piperazinecarbothioamide,4-(2-propenyl)-(9CI);SCHEMBL11701129;DTXSID70406292;NUYKXHPDFCEPDX-UHFFFAOYSA-N;4-allyl-1-piperazinyl-thiocarboxamide;AKOS003586903;4-(prop-2-en-1-yl)piperazine-1-carbothioamide

Chemical Property of 4-Prop-2-enylpiperazine-1-carbothioamide

Chemical Property:

• PSA: 69.13000
• LogP: 0.63010
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.09866866
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1CCN(CC1)C(=S)N