Prothioconazole
Properties
- Molecular formula
- C14H15Cl2N3OS
- Molar mass
- 344.25 g/mol
- Exact mass
- 343.0313 Da
- Density
- 1.36 g/mL (at 20 °C)
- Melting point
- 139.1–144.5 °C
- pKa
- 6.9
- Water solubility
- 300 mg/L (20 °C)
- logP
- 3.34Crippen estimate
- Polar surface area
- 53.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 613-337-00-9), via PubChem.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
178928-70-6SMILES
OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1InChIKey
MNHVNIJQQRJYDH-UHFFFAOYSA-NInChI
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)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C14H16Cl2N3OS 344.0386[M + Na]+
[M + Na]+ Calcd for C14H15Cl2N3NaOS 366.0205[M − H]−
[M − H]− Calcd for C14H14Cl2N3OS 342.0240Elemental analysis
Anal. Calcd for C14H15Cl2N3OS: C, 48.85; H, 4.39; N, 12.21; S, 9.31.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 3H-1,2,4-Triazole-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-
- 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione
- JAU 6476
- Proline (fungicide)
- Redigo
- Rudis
- Proline 480SC
- Joao
- Proline 275
- 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione