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

Modify Date: 2025-09-20 08:42:48

4-Pyrimidinecarboxylic acid, 2-hydroxy-6-mercapto-5-methyl- structure	Common Name	4-Pyrimidinecarboxylic acid, 2-hydroxy-6-mercapto-5-methyl-
	CAS Number	74039-19-3	Molecular Weight	186.18800
	Density	1.61g/cm3	Boiling Point	541.7ºC at 760 mmHg
	Molecular Formula	C₆H₆N₂O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	281.4ºC

Name	5-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Synonym	More Synonyms

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
InChIKey	MDLXLFIWVDNDJR-UHFFFAOYSA-N
SMILES	Cc1c(C(=O)O)[nH]c(=O)[nH]c1=S

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

methyl 5-methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate structure

methyl 5-methyl...

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

4-Pyrimidinecar...

CAS#:74039-19-3

Literature: Batty, Craig A.; Manthey, Michael K.; Kirk, Julie; Manthey, Monika; Christopherson, Richard I.; Hambley, Trevor Journal of Heterocyclic Chemistry, 1997 , vol. 34, # 4 p. 1355 - 1367

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-methyl-2,6-dioxo- structure

4-Pyrimidinecar...

CAS#:3993-73-5

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

4-Pyrimidinecar...

CAS#:74039-19-3

Literature: Batty, Craig A.; Manthey, Michael K.; Kirk, Julie; Manthey, Monika; Christopherson, Richard I.; Hambley, Trevor Journal of Heterocyclic Chemistry, 1997 , vol. 34, # 4 p. 1355 - 1367

methyl 5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate structure

methyl 5-methyl...

CAS#:78202-43-4

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

4-Pyrimidinecar...

CAS#:74039-19-3

Literature: Batty, Craig A.; Manthey, Michael K.; Kirk, Julie; Manthey, Monika; Christopherson, Richard I.; Hambley, Trevor Journal of Heterocyclic Chemistry, 1997 , vol. 34, # 4 p. 1355 - 1367

Precursor 2
CAS#:3993-73-5 4-Pyrimidinecar... CAS#:78202-43-4 methyl 5-methyl...
DownStream 0

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

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