CAS Number178928-70-6
Synonymsprothioconazole; Redigo; 2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol; 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione; UNII-27B9FV58IY; Prothioconazole [ISO:BSI]
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.26
Density1.5±0.1 g/cm3
Boiling Point486.7±55.0 °C at 760 mmHg
Melting Point139.1-144.5°
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 178928-70-6 |
| Catalog No. | 2A-9093803 |
| Chinese Name | 丙硫菌唑 |
| Synonyms | prothioconazole; Redigo; 2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol; 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione; UNII-27B9FV58IY; Prothioconazole [ISO:BSI] |
| Molecular Formula | C14H15Cl2N3OS |
| Molecular Weight | 344.26 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 486.7±55.0 °C at 760 mmHg |
| Melting Point | 139.1-144.5° |
| Storage Condition | Room temperature, store in inert gas |
| Application | Prothioconazole is a triazolinethione fungicide. Prothioconazole is a CYP51 inhibitor. |
| PubChem ID | 11972330 |
| SMILES | OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1 |
| InChI | InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21) |
| InChI Key | MNHVNIJQQRJYDH-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| Bioactivity | Prothioconazole is a triazolinthione fungicide. Prothioconazole is a CYP51 inhibitor[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal Target CYP51[1] References [1]. Parker JE, et al. Prothioconazole and prothioconazole-desthio activities against Candida albicans sterol 14-α-demethylase. Appl Environ Microbiol. 2013 Mar;79(5):1639-45. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 486.7±55.0 °C at 760 mmHg Melting Point 139.1-144.5° Molecular Formula C14H15Cl2N3OS Molecular Weight 344.259 Flash Point 248.2±31.5 °C Exact Mass 343.031281 PSA 85.93000 LogP 1.77 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.698 InChIKey MNHVNIJQQRJYDH-UHFFFAOYSA-N SMILES OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1 |
| Use of | Prothioconazole is a triazolinthione fungicide. Prothioconazole is a CYP51 inhibitor[1]. Properties Name prothioconazole Synonym More Synonyms prothioconazole Biological Activity Description Prothioconazole is a triazolinthione fungicide. Prothioconazole is a CYP51 inhibitor[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal References [1]. Parker JE, et al. Prothioconazole and prothioconazole-desthio activities against Candida albicans sterol 14-α-demethylase. Appl Environ Microbiol. 2013 Mar;79(5):1639-45. Chemical & Physical Properties Exact Mass 343.031281 PSA 85.93000 Index of Refraction 1.698 InChIKey MNHVNIJQQRJYDH-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (3H-1,2,4-Triazole-3- thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (3H-1,2,4-Triazole-3- thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-) International Air Transport Hazardous Regulations: Environmentally hazardous substance, solid, n.o.s. (3H-1,2,4-Triazole-3-thione, 2-[2-(1- chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special precautions for users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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