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

Modify Date: 2025-09-21 17:21:59

1-(4-chlorophenyl)-4,4,6-trimethyl-3H-pyrimidine-2-thione Structure
1-(4-chlorophenyl)-4,4,6-trimethyl-3H-pyrimidine-2-thione structure
Common Name 1-(4-chlorophenyl)-4,4,6-trimethyl-3H-pyrimidine-2-thione
CAS Number 37489-48-8 Molecular Weight 266.79000
Density 1.26g/cm3 Boiling Point 356.2ºC at 760 mmHg
Molecular Formula C13H15ClN2S Melting Point N/A
MSDS N/A Flash Point 169.2ºC

 Names

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

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 356.2ºC at 760 mmHg
Molecular Formula C13H15ClN2S
Molecular Weight 266.79000
Flash Point 169.2ºC
Exact Mass 266.06400
PSA 47.36000
LogP 4.11070
Index of Refraction 1.645
InChIKey TZQHCJOWRXAOJI-UHFFFAOYSA-N
SMILES CC1=CC(C)(C)NC(=S)N1c1ccc(Cl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW1400000
CHEMICAL NAME :
2(1H)-Pyrimidinethione, 1-(p-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
CAS REGISTRY NUMBER :
37489-48-8
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H15-Cl-N2-S
MOLECULAR WEIGHT :
266.81
WISWESSER LINE NOTATION :
T6MYN FHJ BUS CR DG& 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 :
200 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

USAF K-1349
2-Mercapto-3-(4-chlor-phenyl)-4,6,6-trimethyl-dihydro-pyrimidin
1-(4-Chlorophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
2(1H)-Pyrimidinethione,1-(p-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl
1,4-Dihydro-4,4,6-trimethyl-1-(4-chlorophenyl)-pyrimidine-2-thiol
1-(4-chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione
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