1,1'-(1,3-Phenylene)bis(3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione)

Modify Date: 2025-10-24 09:45:32

1,1'-(1,3-Phenylene)bis(3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione) structure	Common Name	1,1'-(1,3-Phenylene)bis(3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione)
	CAS Number	63886-72-6	Molecular Weight	386.57700
	Density	1.26g/cm3	Boiling Point	493.2ºC at 760mmHg
	Molecular Formula	C₂₀H₂₆N₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	252.1ºC

Name	4,6,6-trimethyl-3-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
Synonym	More Synonyms

Density	1.26g/cm3
Boiling Point	493.2ºC at 760mmHg
Molecular Formula	C₂₀H₂₆N₄S₂
Molecular Weight	386.57700
Flash Point	252.1ºC
Exact Mass	386.16000
PSA	108.80000
LogP	4.26420
Index of Refraction	1.682
InChIKey	XRFMRYLICWPDFU-UHFFFAOYSA-N
SMILES	CC1=CC(C)(C)NC(=S)N1c1cccc(N2C(=S)NC(C)(C)C=C2C)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW5781000

CHEMICAL NAME :: 2(1H)-Pyrimidinethione, 1,1'-(1,3-phenylene)bis(3,4-dihydro-4,4,6-trimethyl-

CAS REGISTRY NUMBER :: 63886-72-6

BEILSTEIN REFERENCE NO. :: 0048406

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H26-N4-S2

MOLECULAR WEIGHT :: 386.62

WISWESSER LINE NOTATION :: T6MYN FHJ BUS D1 F1 F1 CR C- CT6MYN FHJ BUS D1 F1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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Literature: Mathes et al. Journal of the American Chemical Society, 1948 , vol. 70, p. 1452 Full Text View citing articles Show Details Goodrich Co. Patent: US2491532 , 1946 ;

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1,1'-(1,3-Phenylene)bis(3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione)

Names

Chemical & Physical Properties

Toxicological Information