[2-(2-Chloro-acetylamino)-thiazol-5-yl]-acetic acid methyl ester

Base Information

• Chemical Name: [2-(2-Chloro-acetylamino)-thiazol-5-yl]-acetic acid methyl ester
• CAS No.: 869951-10-0
• Molecular Formula: C8H9ClN2O3S
• Molecular Weight: 248.69
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80359442
• Wikidata: Q82140650
• Mol file: 869951-10-0.mol

Synonyms:869951-10-0;[2-(2-Chloro-acetylamino)-thiazol-5-yl]-acetic acid methyl ester;methyl {2-[(chloroacetyl)amino]-1,3-thiazol-5-yl}acetate;Methyl 2-(2-(2-chloroacetamido)thiazol-5-yl)acetate;methyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]acetate;Methyl (2-[(chloroacetyl)amino]-1,3-thiazol-5-yl)acetate;methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate;DTXSID80359442;KDOOFRJSQNSJIG-UHFFFAOYSA-N;MFCD04343724;STK709705;AKOS000303216;BS-36062;CS-0313123;Methyl2-(2-(2-chloroacetamido)thiazol-5-yl)acetate;Methyl{2-[(chloroacetyl)amino]-1,3-thiazol-5-yl}acetate;5-Thiazoleacetic acid, 2-[(2-chloroacetyl)amino]-, methyl ester

Chemical Property of [2-(2-Chloro-acetylamino)-thiazol-5-yl]-acetic acid methyl ester

Chemical Property:

• PKA: 7.11±0.50(Predicted)
• PSA: 96.53000
• Density: 1.467g/cm³
• LogP: 1.10890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 248.0022410
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

[2-(2-Chloro-acetylamino)-thiazol-5-yl]-acetic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CN=C(S1)NC(=O)CCl