3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione

Modify Date: 2025-08-25 07:16:17

3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione structure	Common Name	3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
	CAS Number	63951-00-8	Molecular Weight	248.34400
	Density	1.151g/cm3	Boiling Point	413.5ºC at 760mmHg
	Molecular Formula	C₁₃H₁₆N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	203.9ºC

Name	3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Synonym	More Synonyms

Density	1.151g/cm3
Boiling Point	413.5ºC at 760mmHg
Molecular Formula	C₁₃H₁₆N₂OS
Molecular Weight	248.34400
Flash Point	203.9ºC
Exact Mass	248.09800
PSA	74.63000
LogP	2.68100
Index of Refraction	1.505
InChIKey	VLAPOICCOPIXJJ-UHFFFAOYSA-N
SMILES	CC(=O)Oc1cc(CC(NC(C)C)OC(C)=O)cc(OC(C)=O)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SH7810000

CHEMICAL NAME :: Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)

CAS REGISTRY NUMBER :: 63951-00-8

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H23-N-O6

MOLECULAR WEIGHT :: 337.41

WISWESSER LINE NOTATION :: 1VOR COV1 E1YOV1&MY1&1

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 :: 109 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Cardiac - pulse rate increase, without fall in BP Skin and Appendages - hair

REFERENCE :: APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 38,474,1976

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