2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide

Modify Date: 2025-09-27 09:10:00

2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide Structure
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide structure
 Common Name 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide
CAS Number 94772-00-6 Molecular Weight 458.45100
Density 1.53g/cm3 Boiling Point N/A
Molecular Formula C18H18N8O5S 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-(3-nitrophenyl)thiourea

 Chemical & Physical Properties

Density 1.53g/cm3
Molecular Formula C18H18N8O5S
Molecular Weight 458.45100
Exact Mass 458.11200
PSA 203.66000
LogP 3.25820
Index of Refraction 1.708

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XF7463634
CHEMICAL NAME :
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophenyl)amino) thioxomethyl)hydrazide
CAS REGISTRY NUMBER :
94772-00-6
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H18-N8-O5-S
MOLECULAR WEIGHT :
458.50

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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 35,333,1987

 Synthetic Route

3-nitrophenyl isothiocyanate structure

3-nitrophenyl i...

CAS#:3529-82-6

N/A structure

N/A

CAS#:94771-93-4

~77%

2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide Structure

2H-Tetrazole-2-...

CAS#:94772-00-6

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135
3,4-Dimethoxybenzonitrile structure

3,4-Dimethoxybe...

CAS#:2024-83-1

~%

2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide Structure

2H-Tetrazole-2-...

CAS#:94772-00-6

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135
5-(3,4-dimethoxyphenyl)-2H-tetrazole structure

5-(3,4-dimethox...

CAS#:10493-27-3

~%

2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide Structure

2H-Tetrazole-2-...

CAS#:94772-00-6

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135
Ethyl 5-(3,4-dimethoxyphenyl)tetrazol-2-yl acetate structure

Ethyl 5-(3,4-di...

CAS#:91759-58-9

~%

2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide Structure

2H-Tetrazole-2-...

CAS#:94772-00-6

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135
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Chemsrc provides CAS#:94772-00-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide>> amp version: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((3-nitrophen yl)amino)thioxomethyl)hydrazide

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