6-Chloro-N~2~-Ethyl-5-(Methylsulfanyl)-2,4-Pyrimidinediamine

Molecule SVG Image

Properties Simple | Detailed

Formula C7H11ClN4S
IUPAC Name 6-chloro-n2-ethyl-5-methylsulfanyl-pyrimidine-2,4-diamine
Molecular Mass 218.707 g·mol−1
Heat of Formation 51.5 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 243.25 Å 3
Surface Area 233.86 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-pyrimidinediamine, 6-chloro-n2-ethyl-5-(methylthio)-
  • 2-ethylamino-4-amino-5-thiomethyl-6-chloropyrimidine
  • 6-chloro-n-ethyl-5-(methylthio)pyrimidine-2,4-diamine
  • 6-chloro-n-ethyl-5-methylsulfanyl-pyrimidine-2,4-diamine
  • 6-chloro-n-ethyl-5-methylsulfanylpyrimidine-2,4-diamine
  • [4-amino-6-chloro-5-(methylthio)pyrimidin-2-yl]-ethyl-amine
  • ukj 72j
  • ukj-72j
CAS Number(s)
  • 78415-50-6
InChIKey NUVUCPLQXPKFJS-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S N C Cl