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

Modify Date: 2024-04-03 09:50:08

5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione Structure
5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure
Common Name 5-(3,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number 60045-60-5 Molecular Weight 292.31000
Density 1.42g/cm3 Boiling Point N/A
Molecular Formula C13H12N2O4S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

 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

~91%

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

5-(3,4-dimethox...

CAS#: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 & DownStream

Precursor  2

DownStream  0

 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%

 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