([(3,5-Dimethylisoxazol-4-YL)methyl]thio)acetic acid

Base Information

• Chemical Name: ([(3,5-Dimethylisoxazol-4-YL)methyl]thio)acetic acid
• CAS No.: 446830-00-8
• Molecular Formula: C₈H₁₁NO₃S
• Molecular Weight: 201.246
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90366546
• Wikidata: Q82151807
• Mol file: 446830-00-8.mol

Synonyms:([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)ACETIC ACID;446830-00-8;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic Acid;{[(3,5-dimethylisoxazol-4-yl)methyl]thio}acetic acid;[[(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO]ACETIC ACID;2-{[(dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}acetic acid;SCHEMBL16585399;DTXSID90366546;UFJHCGXCDQLCMZ-UHFFFAOYSA-N;HMS1756A09;MFCD03011609;AKOS005137526;BS-28803;EN300-09058;Z19691403;2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)acetic acid;([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)ACETICACID;([(3,5-dimethylisoxazol-4-yl)methyl]thio)acetic acid, AldrichCPR

Chemical Property of ([(3,5-Dimethylisoxazol-4-YL)methyl]thio)acetic acid

Chemical Property:

• PSA: 88.63000
• LogP: 1.60920
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

([(3,5-Dimethylisoxazol-4-yl)methyl]thio)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)CSCC(=O)O
• Uses: ([(3,5-Dimethylisoxazol-4-yl)methyl]thio)acetic acid