4-Pyrimidinecarboxylic acid, 2-hydroxy-6-mercapto-5-methyl-

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Names

[ CAS No. ]:
74039-19-3

[ Name ]:
4-Pyrimidinecarboxylic acid, 2-hydroxy-6-mercapto-5-methyl-

[Synonym ]:
2-Hydroxy-6-thio-5-methyl-4-carboxy pyrimidine
5-methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
2-Hydroxy-6-mercapto-5-methyl-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid,2-hydroxy-6-mercapto-5-methyl

Chemical & Physical Properties

[ Density]:
1.61g/cm3

[ Boiling Point ]:
541.7ºC at 760 mmHg

[ Molecular Formula ]:
C6H6N2O3S

[ Molecular Weight ]:
186.18800

[ Flash Point ]:
281.4ºC

[ Exact Mass ]:
186.01000

[ PSA ]:
118.04000

[ LogP ]:
0.43910

[ Index of Refraction ]:
1.677

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7780000
CHEMICAL NAME :
4-Pyrimidinecarboxylic acid, 2-hydroxy-6-mercapto-5-methyl-
CAS REGISTRY NUMBER :
74039-19-3
LAST UPDATED :
197902
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N2-O3-S
MOLECULAR WEIGHT :
186.20
WISWESSER LINE NOTATION :
T6N CNJ BQ DVQ E1 FSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04724

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-
  • methyl 5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate

DownStream

Related Compounds

  • 7-(4-chlorophenyl)-3-(2-phenoxyethyl)thieno[3,2-d]pyrimidin-4(3H)-one
  • 7-(4-chlorophenyl)-3-(4-methylbenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
  • 7-(4-chlorophenyl)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
  • 7-(4-chlorophenyl)-3-[3-(trifluoromethyl)benzyl]thieno[3,2-d]pyrimidin-4(3H)-one
  • 3-[4-(4-Bromophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]-1-(3,4-dimethylphenyl)urea
  • 4-(4-chlorophenyl)-2-(1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)thiazole
  • 4-(3-chlorophenyl)-2-(1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)thiazole
  • 3-((4-Chlorophenyl)sulfonyl)-6-(4-(3-methoxyphenyl)piperazin-1-yl)pyridazine
  • 3-(2-chlorobenzyl)-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
  • 6-(2-chlorophenyl)-2-((3-(4-(methylthio)phenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridazin-3(2H)-one
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