2,2-Diethoxyethanethioamide

Base Information

• Chemical Name: 2,2-Diethoxyethanethioamide
• CAS No.: 73956-15-7
• Molecular Formula: C6H13 N O2 S
• Molecular Weight: 163.24
• Hs Code.: 2930909090
• European Community (EC) Number: 640-888-2
• DSSTox Substance ID: DTXSID20383362
• Nikkaji Number: J2.267.101D
• Wikidata: Q72468911
• Mol file: 73956-15-7.mol

Synonyms:2,2-diethoxyethanethioamide;73956-15-7;Diethoxythioacetamide;MFCD06658986;2,2,-Diethoxyethanethioamide;Ethanethioamide, 2,2-diethoxy-;2,2-Diethoxythioacetamide;Ethanethioamide,2,2-diethoxy-;SCHEMBL1431693;2,2-bis(ethyloxy)ethanethioamide;AMY4686;DTXSID20383362;MQSDGAKLSVITHP-UHFFFAOYSA-N;BCP19986;AKOS006237671;BP-20426;A9513;CS-0139905;FT-0660034;EN300-66285;D87627

Chemical Property of 2,2-Diethoxyethanethioamide

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 91-94 ºC
• Boiling Point: 214.5°C at 760 mmHg
• PKA: 12.46±0.29(Predicted)
• Flash Point: 83.5°C
• PSA: 76.57000
• Density: 1.093g/cm³
• LogP: 1.37190
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 163.06669983
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

2,2-Diethoxyethanethioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(=S)N)OCC
• Uses: 2,2-Diethoxyethanethioamide is an intermediate in the synthesis of Tubulysin M, an antimitotic peptide from myxobacteria.