Cas no 30125-65-6 (Deethylterbutryne)

Deethylterbutryne structure
Deethylterbutryne structure
Product Name:Deethylterbutryne
CAS No:30125-65-6
MF:C8H15N5S
MW:213.303199052811
CID:309331
PubChem ID:13019211
Update Time:2025-04-19

Deethylterbutryne Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2,4-diamine,N2-(1,1-dimethylethyl)-6-(methylthio)-
    • LogP
    • 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]-2-methylpropan-1-one
    • Deethylterbutryne
    • N2-tert-butyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
    • 1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(methylthio)- (9CI); s-Triazine, 2-amino-4-(tert-butylamino)-6-(methylthio)- (8CI); N2-(1,1-Dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine; 2-Methylthio-4-amino-6-tert-butylamino-s-triazine; Deethylterbutryne; GS 26575
    • MWWBDLRPMWTLRX-UHFFFAOYSA-N
    • N-Desethyl-terbutryn
    • GS26575
    • SCHEMBL8061357
    • 1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(methylthio)-
    • Terbutryn-desethyl
    • GS-26575
    • Irgarol-descyclopropyl
    • 2-N-tert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
    • 30125-65-6
    • DTXSID10891446
    • GS 26575
    • Q27122350
    • CHEBI:51079
    • 2-methylthio-4-tert-butylamino-6-amino-s-triazine
    • NS00000257
    • C8NP55C94V
    • 2-methylthio-4-t-butylamino-6-amino-s-triazine
    • N-tert-butyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
    • 2-Methylthio-4-amino-6-tert-butylamino-s-triazine
    • UNII-C8NP55C94V
    • 2-Amino-4-thiomethyl-6-tertbutylamino-1,3,5-triazine
    • 1,3,5-Triazine-2,4-diamine, N2-(1,1-dimethylethyl)-6-(methylthio)-
    • Inchi: 1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
    • InChI Key: MWWBDLRPMWTLRX-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC(N)=NC(=N1)NC(C)(C)C

Computed Properties

  • Exact Mass: 213.10505
  • Monoisotopic Mass: 213.104816
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 102

Experimental Properties

  • Density: 1.21
  • Boiling Point: 412.6°C at 760 mmHg
  • Flash Point: 203.3°C
  • Refractive Index: 1.579
  • PSA: 76.72

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