Bis[4-(3-Methylbutoxy)Phenyl]Carbamothioic S-Acid

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Properties Simple | Detailed

Formula C23H31NO3S
IUPAC Name bis(4-isopentyloxyphenyl)carbamothioic s-acid
Molecular Mass 401.562 g·mol−1
Heat of Formation -464.2 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 510.78 Å 3
Surface Area 456.36 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • [bis(4-isoamoxyphenyl)amino]thioformic acid
  • [bis(4-isopentyloxyphenyl)amino]methanethioic s-acid
  • [bis[4-(3-methylbutoxy)phenyl]amino]methanethioic s-acid
  • isofetil
CAS Number(s)
  • 77828-24-1
InChIKey ASFFJMBWOFFBON-UHFFFAOYSA-N
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