1-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one

Names

[ Name ]:
1-[(4-ethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one

[Synonym ]:
4(1H)-Pyrimidinone,tetrahydro-1-((4-ethoxyphenyl)methyl)-2-thioxo
N'-(4-Ethoxybenzyl)-5,6-dihydrothiouracil
Tetrahydro-1-((4-ethoxyphenyl)methyl)-2-thioxo-4(1H)-pyrimidinone
1-(4-ethoxy-benzyl)-2-thioxo-tetrahydro-pyrimidin-4-one

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Molecular Formula ]:
C₁₃H₁₆N₂O₂S

[ Molecular Weight ]:
264.34300

[ Exact Mass ]:
264.09300

[ PSA ]:
77.15000

[ LogP ]:
1.90590

[ Index of Refraction ]:
1.623

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7585400

CHEMICAL NAME :: 4(1H)-Pyrimidinone, tetrahydro-1-((4-ethoxyphenyl)methyl)-2-thioxo-

CAS REGISTRY NUMBER :: 55383-87-4

BEILSTEIN REFERENCE NO. :: 0797180

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-N2-O2-S

MOLECULAR WEIGHT :: 264.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,756,1976