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Home> Hot Product Listed P   > Propanethioamide,N,N-diethyl-2,2-dimethyl-
111911-87-6 structure

Propanethioamide,N,N-diethyl-2,2-dimethyl-

CAS No.:111911-87-6
EINECS(EC#): 249-161-0
Molecular Weight:370.7864
Molecular Formula:C23H30O7 (isomer)
Names and Identifiers
Synonyms

AC1L7XCB DTXSID80321780 n,n-diethyl-2,2-dimethylpropanethioamide N,N-Diethylthiopivalamide NSC 381434 nsc381434 nsc-381434 OR334921 propanethioamide, n,n-diethyl-2,2-dimethyl-

Inchi
InChI=1/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
Canonical Smiles
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
Properties
Vapour
2.83E-20mmHg at 25°C
Refractive Index
1.634
Flash Point
80.5°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:370.7864g/mol
  • Molecular Formula:C23H30O7
  • Exact Mass:370.072035
  • Monoisotopic Mass:370.072035
  • Complexity:598
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:95.5
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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