Tetrahydro-2(1H)-Pyrimidinethione

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Properties Simple | Detailed

Formula C4H8N2S
IUPAC Name hexahydropyrimidine-2-thione
Molecular Mass 116.185 g·mol−1
Heat of Formation 42.5 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 139.19 Å 3
Surface Area 146.93 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-diazinane-2-thione
  • 1,3-propylenethiourea
  • 1,4,5,6-tetrahydro-2-pyrimidinethiol
  • 2(1h)-pyrimidinethione, tetrahydro-
  • 2-hexahydropyrimidinethione
  • 2-mercapto-1,4,5,6-tetrahydropyrimidine
  • 2-mercapto-3,4,5,6-tetrahydropyrimidine
  • 2-mercaptotetrahydropyrimidine
  • 3,4,5,6-tetrahydro-2-pyrimidinethiol
  • 3,4,5,6-tetrahydropyrimidine-2-thiol
  • cyclic propylene thiourea
  • n,n'-trimethylenethiourea
  • propylenethiourea
  • tetrahydropyrimidine-2-thione
  • thiourea, n,n'-1,3-propanediyl-
CAS Number(s)
  • 2055-46-1
  • 29228-86-2
InChIKey NVHNGVXBCWYLFA-UHFFFAOYSA-N
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