4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Modify Date: 2024-01-03 20:39:12

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure
4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione structure
Common Name 4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS Number 4461-15-8 Molecular Weight 222.26700
Density 1.45g/cm3 Boiling Point 361ºC at 760 mmHg
Molecular Formula C9H10N4OS Melting Point N/A
MSDS N/A Flash Point 172.1ºC

 Names

Name 4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 361ºC at 760 mmHg
Molecular Formula C9H10N4OS
Molecular Weight 222.26700
Flash Point 172.1ºC
Exact Mass 222.05800
PSA 104.76000
LogP 1.44080
Index of Refraction 1.709

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358570
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(phenoxymethyl)-
CAS REGISTRY NUMBER :
4461-15-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-N4-O-S
MOLECULAR WEIGHT :
222.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 25,257,1988

 Safety Information

HS Code 2933990090

 Synthetic Route

~66%

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure

4-amino-3-(phen...

CAS#:4461-15-8

Literature: Holla, B. Shivarama; Kalluraya, Balakrishna Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988 , vol. 27, # 1-12 p. 683 - 685

~%

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure

4-amino-3-(phen...

CAS#:4461-15-8

Literature: Husain, Asif; Naseer, Mohammad A.; Sarafroz, Mohammad Acta Poloniae Pharmaceutica - Drug Research, 2009 , vol. 66, # 2 p. 135 - 140

~%

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure

4-amino-3-(phen...

CAS#:4461-15-8

Literature: Husain, Asif; Naseer, Md. Arif Medicinal Chemistry Research, 2011 , vol. 20, # 1 p. 47 - 54

~61%

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure

4-amino-3-(phen...

CAS#:4461-15-8

Literature: Foroughifar, Naesr; Ebrahimi, Sattar; Mobinikhaledi, Akbar; Mozafari, Reza Heterocyclic Communications, 2011 , vol. 17, # 5-6 p. 211 - 214

~%

4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Structure

4-amino-3-(phen...

CAS#:4461-15-8

Literature: Husain, Asif; Naseer, Md. Arif Medicinal Chemistry Research, 2011 , vol. 20, # 1 p. 47 - 54

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2,4-Dihydro-4-amino-5-(phenoxymethyl)-3H-1,2,4-triazole-3-thione
4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl hydrosulfide
3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-amino-5-(phenoxymethyl)
4-amino-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
3-phenoxymethyl-4-amino-5-mercapto-(4H)-1,2,4-triazole
4-amino-5-phenoxymethyl-2,4-dihydro-[1,2,4]triazole-3-thione
4-amino-5-(phenoxymethyl)-1,2,4-triazole-3-thiol
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