S-[(2R)-3-Chloro-2-Methyl-3-Oxopropyl] Benzenecarbothioate

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Properties Simple | Detailed

Formula C11H11ClO2S
IUPAC Name s-[(2r)-3-chloro-2-methyl-3-oxo-propyl] benzenecarbothioate
Molecular Mass 242.722 g·mol−1
Heat of Formation -302.4 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 270.97 Å 3
Surface Area 243.48 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • benzenecarbothioic acid s-[(2r)-3-chloro-2-methyl-3-oxopropyl] ester
  • s-[(2r)-3-chloro-2-methyl-3-oxo-propyl] benzenecarbothioate
  • s-benzoyl-3-mercapto-2-methylpropanoyl chloride
  • s-bmmpc
  • thiobenzoic acid s-[(2r)-3-chloro-3-keto-2-methyl-propyl] ester
CAS Number(s)
  • 74654-91-4
InChIKey MJZHAVYNYFDSMZ-MRVPVSSYSA-N
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