Isobutyl Carbamimidothioate

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Properties Simple | Detailed

Formula C5H12N2S
IUPAC Name 2-isobutylisothiourea
Molecular Mass 132.227 g·mol−1
Heat of Formation -13.3 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 179.32 Å 3
Surface Area 174.99 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (isobutylthio)formamidine
  • 2-methylpropylsulfanylmethanimidamide
  • carbamimidothioic acid, 2-methylpropyl ester
  • isobutylsulfanylformamidine
  • s-isobutylisothiourea
CAS Number(s)
  • 44744-73-2
InChIKey MYEMTLRUESEWMA-UHFFFAOYSA-N
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Elements H S C N