2-Pyrimidinethiol, 1,4-Dihydro-4,4,6-Trimethyl-

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Properties Simple | Detailed

Formula C7H12N2S
IUPAC Name 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
Molecular Mass 156.249 g·mol−1
Heat of Formation 14.4 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 200.98 Å 3
Surface Area 195.52 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,4-dihydro-4,4,6-trimethyl-2-pyrimidinethiol
  • 2(1h)-pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-
  • 2-pyrimidinethiol, 1,4-dihydro-4,4,6-trimethyl- (8ci)
  • 2-pyrimidinethiol, 1,6-dihydro-4,6,6-trimethyl-
  • 2-thio-4,4,6-trimethyl dihydropyrimidine
  • 3,4-dihydro-4,4,6-trimethyl-2(1h)-pyrimidinethione
  • 3,4-dihydro-4,4,6-trimethyl-2-pyrimidinethiol
  • 4,6,6-trimethyl-2-mercapto-3,6-dihydropyrimidine
  • 9f-334s
  • bb_sc-1566
  • cds1_000722
  • sr-01000639415-1
  • trimethyl-3,4-dihydropyrimidine-2-thiol
  • usaf k-1795
CAS Number(s)
  • 5392-23-4
  • 5778-17-6
InChIKey XWJVPBHZMKZXII-UHFFFAOYSA-N
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