[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid

Base Information

• Chemical Name: [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
• CAS No.: 436088-31-2
• Molecular Formula: C8H12 N2 O2 S
• Molecular Weight: 200.26
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50349618
• Wikidata: Q82125025
• ChEMBL ID: CHEMBL1344461
• Mol file: 436088-31-2.mol

Synonyms:436088-31-2;[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid;2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid;2-((2-(3-methyl-1H-pyrazol-1-yl)ethyl)thio)acetic acid;MLS000068279;HMS2415A19;CHEMBL1344461;DTXSID50349618;AKOS000300962;SMR000010160;FT-0694252;[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid;2-(2-(3-methyl-1H-pyrazol-1-yl)ethylthio)acetic acid;1-(3-chlorophenyl)-1H-1,2,4-triazole-3-carboxylic?acid;[2-(3-methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid, AldrichCPR

Chemical Property of [2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid

Chemical Property:

• Vapor Pressure: 2.24E-06mmHg at 25°C
• Boiling Point: 377.7°C at 760 mmHg
• Flash Point: 182.2°C
• PSA: 80.42000
• LogP: 1.00930
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

98%min ^*data from raw suppliers

[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1)CCSCC(=O)O