Benzylthiol

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Properties Simple | Detailed

Formula C7H8S
IUPAC Name phenylmethanethiol
Molecular Mass 124.203 g·mol−1
Heat of Formation 79.3 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 159.86 Å 3
Surface Area 161.78 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (mercaptomethyl)benzene
  • (mercaptomethyl)polystyrene
  • .alpha.-mercaptotoluene
  • .alpha.-toluenethiol
  • .alpha.-toluolthiol
  • .alpha.-tolyl mercaptan
  • alpha-mercaptotoluene
  • alpha-toluenethiol
  • alpha-toluolthiol
  • alpha-tolyl mercaptan
  • benzenemethanethiol
  • benzyl hydrosulfide
  • benzyl mercaptan
  • benzylhydrosulfide
  • mercaptomethyl, polymer-bound
  • methanethiol, phenyl-
  • phenylmethyl mercaptan
  • thiobenzyl alcohol
  • thiol, polymer-bound
  • toluene, alpha-mercapto-
  • toluene-alpha-thiol
  • usaf ek-1509
  • usaf ex-1509
CAS Number(s)
  • 16528-58-8
  • 100-53-8
InChIKey UENWRTRMUIOCKN-UHFFFAOYSA-N
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