4-Chlorobenzyl Mercaptan

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Properties Simple | Detailed

Formula C7H7ClS
IUPAC Name (4-chlorophenyl)methanethiol
Molecular Mass 158.648 g·mol−1
Heat of Formation 39.8 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 182.44 Å 3
Surface Area 180.47 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chlorobenzenemethanethiol
  • benzenemethanethiol, 4-chloro-
  • benzenemethanethiol, 4-chloro- (9ci)
  • p-chlorobenzyl mercaptan
  • p-chlorotoluene-alpha-thiol
CAS Number(s)
  • 6258-66-8
InChIKey GKQXPTHQTXCXEV-UHFFFAOYSA-N
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Elements H C S Cl