(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)ACETICACID

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Names

[ CAS No. ]:
16738-19-5

[ Name ]:
(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)ACETICACID

[Synonym ]:
Urea,2-thio-1-(2,5-xylyl)
1-(2,5-dimethylphenyl)-2-thiourea
N-(2,5-Dimethylphenyl)-thioharnstoff
(2,5-Dimethyl-phenyl)-thioharnstoff
(2,5-Xylyl) thiourea
2-Thio-1-(2,5-xylyl)urea
(2,5-Dimethyl-phenyl)-thiourea

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
288.2ºC at 760mmHg

[ Melting Point ]:
135℃

[ Molecular Formula ]:
C9H12N2S

[ Molecular Weight ]:
180.27000

[ Flash Point ]:
128.1ºC

[ Exact Mass ]:
180.07200

[ PSA ]:
70.14000

[ LogP ]:
2.73220

[ Vapour Pressure ]:
0.00237mmHg at 25°C

[ Index of Refraction ]:
1.674

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YU3850000
CHEMICAL NAME :
Urea, 2-thio-1-(2,5-xylyl)-
CAS REGISTRY NUMBER :
16738-19-5
BEILSTEIN REFERENCE NO. :
2092332
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N2-S
MOLECULAR WEIGHT :
180.29
WISWESSER LINE NOTATION :
SUYZMR B1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,46,1953

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,5-Dimethylphenylisothiocyanate
  • sym N,N'-bis(2,5-xylyl)thiourea
  • 2-Amino-p-xylene
  • benzoylthiocarbimide

DownStream

  • 4,7-DIMETHYLBENZO[D]THIAZOL-2-AMINE
  • Benzenethiol,2-amino-3,6-dimethyl-

Related Compounds

  • N-(2-cyclopropyl-1H-benzimidazol-5-yl)-3,5-dimethoxybenzamide
  • 6-(furan-2-yl)-2-[(4-phenylpiperidin-1-yl)methyl]pyridazin-3(2H)-one
  • (3,5-Dimethyl-1-(tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-YL)methanol
  • 2-[1-(oxan-4-yl)-1H-pyrazol-4-yl]ethan-1-amine
  • N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanamide
  • Methyl 2-{[(1-methyl-5-oxopyrrolidin-3-yl)carbonyl]amino}-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
  • 2-[1-(propan-2-yl)-1H-indol-3-yl]-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]acetamide
  • 4-methyl-N-[2-(pyridin-4-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
  • N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
  • 4-(Cyclopentylsulfanyl)benzaldehyde
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