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Home> Hot Product Listed M   > MOLPORT-007-352-506
38452-29-8 structure

MOLPORT-007-352-506

Iupac Name:1,2-dimethoxy-4-methyl-5-methylsulfinylbenzene
CAS No.:38452-29-8
Molecular Weight:214.279
Molecular Formula:C21H30N4O3S (isomer)
Names and Identifiers
Synonyms

3-{[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}-3h,4h-thieno[2,3-d]pyrimidin-4-one 3-{[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl}thieno[2,3-d]pyrimidin-4-one AB01292555-01 MCULE-1178405300 T6654395 Z134584326 ZINC43734538

Inchi
InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3
InChkey
OZNTVIXYGTUPJY-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C=C1S(=O)C)OC)OC
Properties
Refractive Index
1.561
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:214.279g/mol
  • Molecular Formula:C21H30N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:214.066
  • Monoisotopic Mass:214.066
  • Complexity:208
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:54.7A^2
  • Heavy Atom Count:14
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAAAAADASA2AKyB4AABAqA AiBCAEBCCAAgKBAAiBgGiIgNJiKkMRqAMCIkwBEKqAeAwBAOIIABBAAEQABBAAIIAAiAAAAAAAAA AA==
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