Desmetryn

CAS Registry Number®

1014-69-3
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CAS Name

Desmetryn

Molecular Formula

C8H15N5S

Molecular Mass

213.30

Cite this Page

Desmetryn.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1014-69-3 (retrieved 2024-05-03) (CAS RN: 1014-69-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    345 °C

  • Melting Point (2)

    84-86 °C

  • Density (2)

    1.172 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)

InChIKey

InChIKey=HCRWJJJUKUVORR-UHFFFAOYSA-N

SMILES

N(C(C)C)C=1N=C(NC)N=C(SC)N1

Canonical SMILES

N=1C(=NC(=NC1NC)NC(C)C)SC

Other Names for this Substance

  • 1,3,5-Triazine-2,4-diamine, N2-methyl-N4-(1-methylethyl)-6-(methylthio)-
  • s-Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-
  • 1,3,5-Triazine-2,4-diamine, N-methyl-N′-(1-methylethyl)-6-(methylthio)-
  • N2-Methyl-N4-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • G 34360

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