S-Octyl benzenecarbothioate

CAS Registry Number®

10489-23-3
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CAS Name

S-Octyl benzenecarbothioate

Molecular Formula

C15H22OS

Molecular Mass

250.40

Cite this Page

S-Octyl benzenecarbothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10489-23-3 (retrieved 2024-09-08) (CAS RN: 10489-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    125-130 °C @ Press: 0.1 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

InChIKey

InChIKey=RBWOKKSOBWYZQH-UHFFFAOYSA-N

SMILES

C(SCCCCCCCC)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(SCCCCCCCC)C=1C=CC=CC1

Other Names for this Substance

  • Benzenecarbothioic acid, S-octyl ester
  • Benzoic acid, thio-, S-octyl ester
  • S-Octyl benzenecarbothioate
  • Tioctilate
  • S-(1-Octyl) thiobenzoate

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