60045-60-5

60045-60-5 structure

Name: 5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Chemical Name: 5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number: 60045-60-5
Molecular Formula: C₁₃H₁₂N₂O₄S
Molecular Weight: 292.31000
Create Date: 2017-09-04 07:43:08
Modify Date: 2024-04-03 09:50:08

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

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

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

HS Code	2933599090

504-17-6

120-14-9

~91%

60045-60-5

Literature: Luo, Youfu; Ma, Liang; Zheng, Hao; Chen, Lijuan; Li, Rui; He, Chunmei; Yang, Shengyong; Ye, Xia; Chen, Zhizhi; Li, Zicheng; Gao, Yan; Han, Jing; He, Gu; Yang, Li; Wei, Yuquan Journal of Medicinal Chemistry, 2010 , vol. 53, # 1 p. 273 - 281

Precursor 2
504-17-6 120-14-9
DownStream 0

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%

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