2-Chloroethyl Sulfanylacetate

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Properties Simple | Detailed

Formula C4H7ClO2S
IUPAC Name 2-chloroethyl 2-sulfanylacetate
Molecular Mass 154.615 g·mol−1
Heat of Formation -426.2 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 170.18 Å 3
Surface Area 173.96 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloroethyl 2-sulfanylethanoate
  • 2-mercaptoacetic acid 2-chloroethyl ester
  • acetic acid, mercapto-, 2-chloroethyl ester
  • acetic acid, thiol, 2-chloroethyl ester
  • tl 333
CAS Number(s)
  • 63906-38-7
InChIKey WXQHDEXEROWAAQ-UHFFFAOYSA-N
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Elements H S C O Cl