Methyl 2-(Methylsulfanyl)Benzoate

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Properties Simple | Detailed

Formula C9H10O2S
IUPAC Name methyl 2-methylsulfanylbenzoate
Molecular Mass 182.239 g·mol−1
Heat of Formation -253.4 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 218.3 Å 3
Surface Area 206.58 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(methylthio)benzoic acid methyl ester
  • 2-methylthiobenzoic acid, methyl ester
  • benzoic acid, 2-(methylthio)-, methyl ester
  • benzoic acid,2-methylthio,methyl ester
CAS Number(s)
  • 3704-28-7
InChIKey CPQDZXPLQXZJGF-UHFFFAOYSA-N
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