5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Names

[ CAS No. ]:
60045-60-5

[ Name ]:
5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

[Synonym ]:
5-(3,4-dimethoxy-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
5-(3,4-Dimethoxybenzylidene)-2-thiobarbituric acid
2,3-Dihydro-5-(3,4-dimethoxybenzylidene)-2-thioxo-4,6(1H,5H)-pyrimidinedione

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Molecular Formula ]:
C13H12N2O4S

[ Molecular Weight ]:
292.31000

[ Exact Mass ]:
292.05200

[ PSA ]:
108.75000

[ LogP ]:
1.27570

[ Index of Refraction ]:
1.649

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7720000
CHEMICAL NAME :
Barbituric acid, 2-thio-5-veratrylidene-
CAS REGISTRY NUMBER :
60045-60-5
BEILSTEIN REFERENCE NO. :
4499070
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N2-O4-S
MOLECULAR WEIGHT :
292.33
WISWESSER LINE NOTATION :
T6MVYVMYJ CU1R CO1 DO1& FUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03842

Safety Information

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4,6-Dihydroxy-2-mercaptopyrimidine
  • veratraldehyde

DownStream

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-Ethylcyclohexyl 4-methylbenzene-1-sulfonate
  • Propyl 2-amino-4-(2-naphthalenyl)-3-thiophenecarboxylate
  • [(3-Bromo-5-chlorophenyl)methyl](methyl)amine
  • 2-Ethynyl-1-methyl-4-phenylimidazole
  • 4-[(4-Bromophenyl)methyl]-2-methyl-6-[2-(phenylmethyl)-4-thiazolyl]-2H-1,4-benzoxazin-3(4H)-one
  • 5-[2-(1-Aminocyclopropyl)ethyl]-2-methoxyphenol
  • (2R)-1-Chloro-3-(propan-2-yloxy)propan-2-ol
  • (S)-3-Amino-3-(perfluorophenyl)propanoic acid
  • 3-Amino-3-(3-chloro-2,6-difluorophenyl)propan-1-ol
  • 2-[2-(4-Fluorophenyl)propyl]pyrrolidine
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