1-Methyl-2,4-phenylene {bis[1,1-(2-thio-4,4,} 6-trimethyl)] dihydropyrimidine

Modify Date: 2025-09-23 16:41:22

1-Methyl-2,4-phenylene {bis[1,1-(2-thio-4,4,} 6-trimethyl)] dihydropyrimidine Structure
1-Methyl-2,4-phenylene {bis[1,1-(2-thio-4,4,} 6-trimethyl)] dihydropyrimidine structure
Common Name 1-Methyl-2,4-phenylene {bis[1,1-(2-thio-4,4,} 6-trimethyl)] dihydropyrimidine
CAS Number 63690-23-3 Molecular Weight 400.60400
Density 1.24g/cm3 Boiling Point 509.5ºC at 760 mmHg
Molecular Formula C21H28N4S2 Melting Point N/A
MSDS N/A Flash Point 262ºC

 Names

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

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 509.5ºC at 760 mmHg
Molecular Formula C21H28N4S2
Molecular Weight 400.60400
Flash Point 262ºC
Exact Mass 400.17600
PSA 94.72000
LogP 5.53640
Index of Refraction 1.672
InChIKey SZZSATMQRKDUGK-UHFFFAOYSA-N
SMILES CC1=CC(C)(C)NC(=S)N1c1ccc(C)c(N2C(=S)NC(C)(C)C=C2C)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW5780000
CHEMICAL NAME :
2(1H)-Pyrimidinethione, 1,1'-(4-methyl-1,3-phenylene)bis(3,4-dihydro-4,4,6-tr imethyl-
CAS REGISTRY NUMBER :
63690-23-3
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H28-N4-S2

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

 Synonyms

1,1'-(4-Methyl-1,3-phenylene)bis(3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione)
USAF K-1360
2(1H)-Pyrimidinethione,1,1'-(4-methyl-1,3-phenylene)bis(3,4-dihydro-4,4,6-trimethyl
1-Methyl-2,4-phenylene bis-1,1'-(2-thio-4,4,6-trimethyl dihydropyrimidine)
2(1H)-Pyrimidinethione,1'-(4-methyl-1,3-phenylene)bis(3,4-dihydro-4,4,6-trimethyl
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