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

Names

[ CAS No. ]:
37489-46-6

[ Name ]:
3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione

[Synonym ]:
USAF K-1346
1-<4-Hydroxy-phenyl>-4.4.6-trimethyl-3.4-dihydro-1H-pyrimidin-2-thion

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Boiling Point ]:
382.2ºC at 760 mmHg

[ Molecular Formula ]:
C13H16N2OS

[ Molecular Weight ]:
248.34400

[ Flash Point ]:
185ºC

[ Exact Mass ]:
248.09800

[ PSA ]:
74.63000

[ LogP ]:
2.68100

[ Index of Refraction ]:
1.665

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW2975000
CHEMICAL NAME :
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-hydroxyphenyl)-4,4,6-trimethyl-
CAS REGISTRY NUMBER :
37489-46-6
BEILSTEIN REFERENCE NO. :
0199654
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2-O-S
MOLECULAR WEIGHT :
248.37
WISWESSER LINE NOTATION :
T6MYN FHJ BUS CR DQ& 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Aminophenol
  • 4-isothiocyanato-4-methylpentan-2-one

DownStream

Related Compounds

  • 3-Methyl-N-(6-methyl-2-benzothiazolyl)-2,5-dioxo-1-imidazolidinebutanamide
  • 1,1-Bis(4-chlorophenyl)-2-{[(pyridin-2-yl)methyl]amino}ethan-1-ol dihydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1,2,3,4-Tetrahydro-1,4-dimethyl-1-phenyl-2-(phenylmethyl)isoquinoline
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • N-(3-methoxyphenyl)-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
  • 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 5-bromo-2-chlorobenzoate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2,4-Dimethyl-3-phenylpentan-3-amine