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Home> Hot Product Listed T   > T6703040
6231-03-4 structure

T6703040

Iupac Name:diethoxy-phenyl-sulfanylidene-$l^{5}-phosphane
CAS No.:6231-03-4
Molecular Weight:230.262
Molecular Formula:C14H19NO2 (isomer)
Names and Identifiers
Synonyms

5-amino-1-(benzenesulfonyl)-1h-pyrazol-3-yl 3,4-dimethylbenzoate MCULE-1227779208 MOLPORT-009-106-863 Z969651236 ZINC58047248

Inchi
InChI=1S/C10H15O2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChkey
IEEVMKZCLPHMRL-UHFFFAOYSA-N
Canonical Smiles
CCOP(=S)(C1=CC=CC=C1)OCC
Properties
Refractive Index
1.529
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:230.262g/mol
  • Molecular Formula:C14H19NO2
  • Compound Is Canonicalized:True
  • Exact Mass:230.053
  • Monoisotopic Mass:230.053
  • Complexity:192
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.6A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAJAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGggAACAACACgkAIyAIAAARCA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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