Ethyl 2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetate

CAS Registry Number®

13980-78-4
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CAS Name

Ethyl 2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetate

Molecular Formula

C11H12N4O2S

Molecular Mass

264.30

Cite this Page

Ethyl 2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13980-78-4 (retrieved 2024-06-28) (CAS RN: 13980-78-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12N4O2S/c1-2-17-10(16)8-18-11-12-13-14-15(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

InChIKey=ZZEPFFJCNRUHDM-UHFFFAOYSA-N

SMILES

S(CC(OCC)=O)C=1N(N=NN1)C2=CC=CC=C2

Canonical SMILES

O=C(OCC)CSC1=NN=NN1C=2C=CC=CC2

Other Names for this Substance

  • Acetic acid, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-, ethyl ester
  • Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, ethyl ester
  • Ethyl 2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetate