2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

Basic Information

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CAS Number

178928-70-6

Molecular Formula

C14H15Cl2N3OS

Molecular Weight

344.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

139.1-144.5°

Boiling Point

486.7°C at 760 mmHg

SMILES

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C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl

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)

InChIKey

MNHVNIJQQRJYDH-UHFFFAOYSA-N

LogP

3.3392900000000014

pKa

6.9(at 25℃)

Topological Polar Surface Area

53.84 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

458

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats (mg/kg): > 6200 orally; > 2000 dermally; LC50 in rats (mg/m3): > 4990 by inhalation; LC50 (96 hr) in rainbow trout: 1.83 mg/l (Mauler-Machnik)

Synonyms & References

English

2-(1-chloro-cyclopropyl)-1-(2-chloro-phenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol
J-011412
HY-116568
PROTHIOCONAZOLE [MI]
HSDB7893
MFCD08273847
178928-70-6
3H-1,2,4-Triazole-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-
NCGC00357118-01
(RS)-2-(2-(1-CHLOROCYCLOPROPYL)-3-(2-CHLOROPHENYL)-2-HYDROXYPROPYL)-2,4-DIHYDRO-1,2,4-TRIAZOLE-3-THIONE
CHEBI:84008
CAS-178928-70-6
Q10816580
AKOS024462906
C14H15Cl2N3OS
HSDB 7893
AMY3562
D78065
PROTHIOCONAZOLE [ISO]
Prothioconazole (2-(2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione)
2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxy-propyl]-4H-1,2,4-triazole-3-thione
CHEMBL2251446
Prothioconazole [ISO:BSI]
3H-1,2,4-TRIAZOLE-3-THIONE, 2-(2-(1-CHLOROCYCLOPROPYL)-3-(2-CHLOROPHENYL)-2-HYDROXYPROPYL)-1,2-DIHYDRO-
SCHEMBL21497
AKOS040744510
UNII-27B9FV58IY
2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione
PROLINE 480 SC Fungicide
2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazole-3(2H)-thione
HSDB-7893

MDL Number

MFCD08273847

FAQ

What is 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6)?

2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6) is a synthetic organic compound with a complex structure containing a triazole ring and functional groups such as hydroxy and chloro substituents. It is known for its potential biological activity and is often studied in pharmaceutical research. The chemical formula is C15H15Cl3N3OS.

What are the main uses of 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6)?

This compound is primarily used in pharmaceutical research for its potential pharmacological properties, including antimicrobial and antifungal activities. It may also find applications in chemical synthesis and as a building block for developing new drugs. Its unique structure makes it relevant in the study of bioactive molecules and medicinal chemistry.

Is 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6) safe?

The safety of 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6) depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, as with many chemical compounds, it should be used with appropriate protective measures, such as gloves and ventilation, to minimize potential health risks.

How should 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6) be stored?

To ensure stability and safety, 2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione (CAS: 178928-70-6) should be stored in a cool, dry, and dark place, away from moisture and light exposure. It is recommended to keep it in a sealed container and maintain a storage temperature below 25°C. Avoid contact with incompatible substances to prevent degradation or reactions.