chempirical

Simetryn

C8H15N5SCAS 1014-70-6213.30 g/mol

Open in Covalent MOL file
NNSNHNHN
Sulfide

Properties

Molecular formula
C8H15N5S
Molar mass
213.30 g/mol
Exact mass
213.1048 Da
Melting point
82.5 °C
logP
0.30Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
1014-70-6
SMILES
CCN=c1nc(SC)[nH]c(=NCC)[nH]1
InChIKey
MGLWZSOBALDPEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 1,3,5-Triazine-2,4-diamine, N2,N4-diethyl-6-(methylthio)-
  • s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-
  • 1,3,5-Triazine-2,4-diamine, N,N′-diethyl-6-(methylthio)-
  • N2,N4-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • G 32911
  • 2,4-Bis(ethylamino)-6-methylmercapto-s-triazine
  • 2-Methylmercapto-4,6-bis(ethylamino)-s-triazine
  • 2-Methylthio-4,6-bis(ethylamino)-s-triazine
  • Simetryne
  • 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine
  • 2-Methylthio-4-ethylamino-6-ethylamino-s-triazine
  • 2-Methylthio-4,6-bis(ethylamino)-1,3,5-triazine
  • 2,4-Diethylamino-6-methylthio-1,3,5-triazine
  • 6-Methylthio-2,4-bis(ethylamino)-s-triazine
  • 2,4-Bis(ethylamino)-6-methylthio-1,3,5-triazine
  • NSC 163051
  • N,N′-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • Gybon

Work with Simetryn

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ametryn834-12-873 % similar Simazine122-34-957 % similar Simeton673-04-153 % similar Prometryn7287-19-649 % similar Terbutryn886-50-044 % similar Atrazine1912-24-942 % similar Terbuthylazine5915-41-334 % similar 4-Amino-2-(methylthio)-6-pyrimidinol1074-41-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook