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Prothioconazole

CAT: 1596-AR-P33094-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
178928-70-6
Synonyms
2- (2- (1-Chlorocyclopropyl) -3- (2-chlorophenyl) -2-hydroxypropyl) -2,4-dihydro-3H-1,2,4-triazole-3-thione
Molecular Formula
C14H15Cl2N3OS
Molecular Weight
344.25
API Name
Prothioconazole

Chemical Information

Prothioconazole

2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione is a member of the class of triazoles that is 1,2,4-triazole-3-thione substituted at position 2 by a 2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl group. It is a tertiary alcohol, a member of triazoles, a thiocarbonyl compound, a member of cyclopropanes and a member of monochlorobenzenes.

CAS Number178928-70-6
PubChem CID6451142
IUPAC Name2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.3
XLogP2.7
Topological Polar Surface Area80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity458
SMILES
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
Chemical Structure
2D Structure
2D structure of Prothioconazole
CAS: 178928-70-6
CID: 6451142
Formula: C14H15Cl2N3OS
MW: 344.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass343.0312887
Monoisotopic Mass343.0312887
Topological Polar Surface Area80 Ų
Heavy Atom Count21
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-T-85927Prothioconazole
463141-01Prothioconazole-d4
425342Prothioconazole-desthio
HY-116568RProthioconazole (Standard)

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