S-(2-((6-Ethoxy-2-benzothiazolyl)amino)-2-oxoethyl) ethanethioate

Base Information

• Chemical Name: S-(2-((6-Ethoxy-2-benzothiazolyl)amino)-2-oxoethyl) ethanethioate
• CAS No.: 94109-76-9
• Molecular Formula: C13H14 N2 O3 S2
• Molecular Weight: 310.39186
• European Community (EC) Number: 302-515-9
• UNII: LSU545MEJ4
• DSSTox Substance ID: DTXSID80240624
• Nikkaji Number: J368.122J
• Wikidata: Q83123601
• Mol file: 94109-76-9.mol

Synonyms:94109-76-9;LSU545MEJ4;S-(2-((6-Ethoxy-2-benzothiazolyl)amino)-2-oxoethyl) ethanethioate;EINECS 302-515-9;UNII-LSU545MEJ4;DTXSID80240624;VACOUTTXFKATCV-UHFFFAOYSA-N;NS00063678;s-[2-[(6-Ethoxy-2-benzothiazolyl)amino]-2-oxoethyl]ethanethioate;ETHANETHIOIC ACID, S-(2-((6-ETHOXY-2-BENZOTHIAZOLYL)AMINO)-2-OXOETHYL) ESTER

Chemical Property of S-(2-((6-Ethoxy-2-benzothiazolyl)amino)-2-oxoethyl) ethanethioate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 125.32000
• Density: 1.385g/cm³
• LogP: 3.56270
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 310.04458466
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=O)C