145289
4-Chloro-2-methylthiopyrimidine
98%
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About This Item
Empirical Formula (Hill Notation):
C5H5ClN2S
CAS Number:
Molecular Weight:
160.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
256-500-6
MDL number:
Assay:
98%
Quality Segment
assay
98%
refractive index
n
bp
139-140 °C/36 mmHg (lit.)
mp
−2 °C (lit.)
density
1.381 g/mL at 25 °C (lit.)
functional group
chloro, thioether
SMILES string
CSc1nccc(Cl)n1
InChI
1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChI key
DFOHHQRGDOQMKG-UHFFFAOYSA-N
Application
4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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