2-(3-Methylpiperidine-1-carbothioylsulfanyl)acetic acid

Base Information

• Chemical Name: 2-(3-Methylpiperidine-1-carbothioylsulfanyl)acetic acid
• CAS No.: 6499-11-2
• Molecular Formula: C9H15 N O2 S2
• Molecular Weight: 232.3435
• ChEMBL ID: CHEMBL1556405
• DSSTox Substance ID: DTXSID70406994

Synonyms:6499-11-2;2-(3-methylpiperidine-1-carbothioylsulfanyl)acetic acid;2-((3-Methylpiperidine-1-carbonothioyl)thio)acetic acid;2-(3-methylpiperidine-1-carbothioyl)sulfanylacetic Acid;{[(3-methylpiperidin-1-yl)carbonothioyl]thio}acetic acid;([(3-Methylpiperidin-1-yl)carbonothioyl]thio)acetic acid;MLS000394254;CHEMBL1556405;DTXSID70406994;HMS2573B04;AKOS027391048;SMR000248558;EN300-12717;J-502784;Z85921929;[(3-Methylpiperidine-1-carbothioyl)sulfanyl]acetic acid;2-((3-Methylpiperidine-1-carbonothioyl)thio)aceticacid;2-[(3-methylpiperidin-1-yl)carbothioylsulfanyl]acetic acid

Chemical Property of 2-(3-Methylpiperidine-1-carbothioylsulfanyl)acetic acid

Chemical Property:

• Vapor Pressure: 1.79E-06mmHg at 25°C
• Boiling Point: 369.5°Cat760mmHg
• Flash Point: 177.3°C
• Density: g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.05442107
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN(C1)C(=S)SCC(=O)O

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