4-Phenyl-4H-1,2,4-triazole-3-thiol

CAS

5373-72-8

Catalog Number

ACM5373728

Category

Other Products

Molecular Weight

177.23

Molecular Formula

C8H7N3S

MSDS COA Spec Sheet

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Specification

Synonyms

ZINC01041959, 5373-72-8

IUPAC Name

4-phenyl-1,2,4-triazole-3-thiolate

Canonical SMILES

C1=CC=C(C=C1)N2C=NNC2=S

InChI Key

PUGUFBAPNSPHHY-UHFFFAOYSA-M

Boiling Point

260.4ºC at 760mmHg

Flash Point

111.3ºC

Density

1.33 g/cm³

Exact Mass

177.03600

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

5373-72-8

16227-12-6

Reference: [1] Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 248, p. 1677,1679[2] Bulletin de la Societe Chimique de France, 1961, p. 1581,1582,1584

Downstream Synthesis Route 2

5373-72-8
79-11-8

3682-28-8

Reference: [1]Pesson,M. et al.
[Bulletin de la Societe Chimique de France, 1961, p. 1581 - 1585]

Downstream Synthesis Route 3

14386-64-2
5373-72-8

143212-97-9

Reference: [1]Neplyuev, V. M.; Morozov, I. S.; Samoilov, N. N.; Bazavova, I. M.; Losev, A. S.; et al.
[Pharmaceutical Chemistry Journal, 1992, vol. 26, # 2, p. 147 - 151][Khimiko-Farmatsevticheskii Zhurnal, 1992, vol. 26, # 2, p. 38 - 41]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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