2-Amino-2-thioxoethyl pivalate

Base Information

• Chemical Name: 2-Amino-2-thioxoethyl pivalate
• CAS No.: 175204-79-2
• Molecular Formula: C₇H₁₃NO₂S
• Molecular Weight: 175.252
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80381945
• Wikidata: Q82173163
• Mol file: 175204-79-2.mol

Synonyms:2-Amino-2-thioxoethyl pivalate;175204-79-2;2-Amino-2-thioxoethyl 2,2-dimethylpropanoate;2-(tert-Butylcarbonyloxy)thioacetamide;(2-amino-2-sulfanylideneethyl) 2,2-dimethylpropanoate;carbamothioylmethyl 2,2-dimethylpropanoate;2-Amino-2-thioxoethylpivalate;Propanoicacid,2,2-dimethyl-,2-amino-2-thioxoethyl ester;Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester;Maybridge1_006303;2-(pivaloyloxy)-thioacetamide;SCHEMBL561844;HMS559G11;DTXSID80381945;COULAOZTCJTHOX-UHFFFAOYSA-N;STR07269;CCG-45290;MFCD00204238;AKOS006227615;2-(tert-butylcarbonyloxy) thioacetamide;2-(tert.-butylcarbonyloxy)thioacetamide;2-(tert.-butyl-carbonyloxy)thioacetamide;2-(tert.-butylcarbonyl-oxy)thioacetamide;2-Amino-2-thioxoethyl pivalate, AldrichCPR;CS-0315098;FT-0611023;SR-01000635068-1

Chemical Property of 2-Amino-2-thioxoethyl pivalate

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Melting Point: 78-80oC
• Boiling Point: 251.6oC at 760 mmHg
• PKA: 12.37±0.29(Predicted)
• Flash Point: 106oC
• PSA: 84.41000
• Density: 1.121g/cm3
• LogP: 1.56210
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 175.06669983
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-2-thioxoethylPivalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCC(=S)N