[2-(4-Methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid

Base Information

• Chemical Name: [2-(4-Methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid
• CAS No.: 436087-11-5
• Molecular Formula: C10H17 N O3 S
• Molecular Weight: 231.31
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60356358
• Wikidata: Q82135648
• ChEMBL ID: CHEMBL1462971
• Mol file: 436087-11-5.mol

Synonyms:436087-11-5;[2-(4-Methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid;2-((2-(4-Methylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid;2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid;BAS 03650844;Oprea1_342320;MLS000715292;CHEMBL1462971;DTXSID60356358;HMS1684P02;HMS2733E06;{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}acetic acid;AKOS000300335;SMR000275271;FT-0676703;SR-01000319084;SR-01000319084-1;BRD-K92788612-001-07-9;{[2-(4-Methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}acetic acid;2-((2-(4-Methylpiperidin-1-yl)-2-oxoethyl)thio)aceticacid;2-([2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl)acetic acid;[2-(4-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid, AldrichCPR

Chemical Property of [2-(4-Methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid

Chemical Property:

• Vapor Pressure: 4.65E-08mmHg at 25°C
• Boiling Point: 415.2°Cat760mmHg
• Flash Point: 204.9°C
• PSA: 82.91000
• Density: g/cm³
• LogP: 1.00060
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.09291458
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

[2-(4-Methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1CCN(CC1)C(=O)CSCC(=O)O