1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea

Modify Date: 2025-12-09 18:29:41

1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea Structure
1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea structure
 Common Name 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea
CAS Number 94771-97-8 Molecular Weight 413.45400
Density 1.41g/cm3 Boiling Point N/A
Molecular Formula C18H19N7O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.41g/cm3
Molecular Formula C18H19N7O3S
Molecular Weight 413.45400
Exact Mass 413.12700
PSA 157.84000
LogP 2.82680
Index of Refraction 1.68
InChIKey QSDHLPBDLFWWAW-UHFFFAOYSA-N
SMILES COc1ccccc1NC(=S)NNC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XF7463625
CHEMICAL NAME :
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-methoxyphenyl)amino) thioxomethyl)hydrazide
CAS REGISTRY NUMBER :
94771-97-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H21-N7-O4-S
MOLECULAR WEIGHT :
443.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1133,1984

 Synonyms

4-(2-Methoxyphenyl)-1-(5-(3,4-methoxyphenyl)tetrazol-2-yl-acetyl)thiosemicarbazide
2H-Tetrazole-2-acetic acid,5-(3,4-dimethoxyphenyl)-,2-(((2-methoxyphenyl)amino)thioxomethyl)hydrazide
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Chemsrc provides CAS#:94771-97-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea>> amp version: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methoxyphenyl)thiourea

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