Benzyl mercaptan

CAS Registry Number®

100-53-8
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CAS Name

Benzyl mercaptan

Molecular Formula

C7H8S

Molecular Mass

124.20

Cite this Page

Benzyl mercaptan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=100-53-8 (retrieved 2024-04-19) (CAS RN: 100-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    194-195 °C

  • Melting Point (2)

    -30 °C

  • Density (1)

    1.05 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChIKey

InChIKey=UENWRTRMUIOCKN-UHFFFAOYSA-N

SMILES

C(S)C1=CC=CC=C1

Canonical SMILES

SCC=1C=CC=CC1

Other Names for this Substance

  • Benzenemethanethiol
  • α-Toluenethiol
  • Benzyl mercaptan
  • Benzylthiol
  • Thiobenzyl alcohol

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Deleted or Replaced CAS Registry Numbers

1429189-88-7

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