Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

407682

Sigma-Aldrich

4-(Trifluoromethyl)pyrimidine-2-thiol

96%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C5H3F3N2S
CAS Number:
136547-17-6
Molecular Weight:
180.15
MDL number:
MFCD00115113
UNSPSC Code:
12352100
PubChem Substance ID:
24865477
NACRES:
NA.22

Assay

96%

form

solid

mp

164-166 °C (lit.)

functional group

fluoro

SMILES string

FC(F)(F)c1ccnc(S)n1

InChI

1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)

InChI key

HDGJASCXBNRLGA-UHFFFAOYSA-N

General description

4-(Trifluoromethyl)pyrimidine-2-thiol is a heteroaromatic thioamide. Separation and quantification of a mixture of heteroaromatic thioamides (pyridine-2-thione, 5-trifluoromethylpyridine-2-thione, pyrimidine-2-thiol, 4-trifluoromethylpyrimidine-2-thiol) by capillary zone electrophoresis has been reported.

Application

4-(Trifluoromethyl)pyrimidine-2-thiol may be used in the preparation of [{Pt(bzq)(μ-L)}2] [Hbzq = benzo[h]quinolone, HL = 4-(trifluoromethyl)pyrimidine-2-thiol], a novel half-lantern divalent complex of platinum.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311 + H331

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCC2557
1394492
00512CJ
04703TH
U17531

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Electrophoretic determination of thioamides, pyridine and pyrimidine derivatives.
Chenov'yants MS, et al.
Journal of Analytical Chemistry, 68(6), 532-535 (2013)
Stayin' Alive-Organoplatinum Complexes.
Klein A.
Inorganics , 3(2), 155-159 (2015)
Half-Lantern Pt (II) and Pt (III) Complexes. New Cyclometalated Platinum Derivatives.
Sicilia V, et al.
Inorganics , 2(3), 508-523 (2014)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service