S-(Phenylmethyl) benzenecarbothioate

CAS Registry Number®

13402-51-2

CAS Name

S-(Phenylmethyl) benzenecarbothioate

Molecular Formula

C14H12OS

Molecular Mass

228.31

Cite this Page

S-(Phenylmethyl) benzenecarbothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13402-51-2 (retrieved 2024-11-28) (CAS RN: 13402-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    184-185 °C @ Press: 7 Torr

  • Melting Point (2)

    36-37 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

InChIKey=IXTYVGVNWHFZBK-UHFFFAOYSA-N

SMILES

C(SCC1=CC=CC=C1)(=O)C2=CC=CC=C2

Canonical SMILES

O=C(SCC=1C=CC=CC1)C=2C=CC=CC2

Other Names for this Substance

  • Benzenecarbothioic acid, S-(phenylmethyl) ester
  • Benzoic acid, thio-, S-benzyl ester
  • α-Toluenethiol, benzoate
  • S-(Phenylmethyl) benzenecarbothioate
  • Thiobenzoic acid S-benzyl ester

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