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Home> Encyclopedia > Hot Product Listed S   > STK400808
847472-82-6 structure

STK400808

Iupac Name:1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-prop-2-enylthiourea
CAS No.:847472-82-6
Molecular Weight:293.385
Molecular Formula:C14H19N3O2S (isomer)
Names and Identifiers
Synonyms

1-(2-(2,4-dimethylphenoxy)acetyl)-4-allylthiosemicarbazide 1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-prop-2-enylthiourea 2-(2,4-dimethylphenoxy)-n-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide 2-(2,4-dimethylphenoxy)-n-{[(prop-2-enylamino)thioxomethyl]amino}acetamide 2-[(2,4-dimethylphenoxy)acetyl]-n-(prop-2-en-1-yl)hydrazinecarbothioamide AC1N4CBY AKOS003312363 CTK5J4863 KS-000028SS MCULE-3515767735 mfcd00171090 MOLPORT-001-586-601 MS-6771 n-allyl-2-[2-(2,4-dimethylphenoxy)acetyl]-1-hydrazinecarbothioamide ST50858968 ZINC2550065

Inchi
InChI=1S/C14H19N3O2S/c1-4-7-15-14(20)17-16-13(18)9-19-12-6-5-10(2)8-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H,16,18)(H2,15,17,20)
InChkey
GGANDAXBRALHIZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NCC=C)C
Computational chemical data
  • Molecular Weight:293.385g/mol
  • Molecular Formula:C14H19N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:293.12
  • Monoisotopic Mass:293.12
  • Complexity:349
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:20
  • 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
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