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Dicloromezotiaz

CAT: 0572-TRC-D434402-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D434402-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1263629-39-5
Synonyms
2H-Pyrido[1,2-a]pyrimidinium, 1-[(2-chloro-5-thiazolyl)methyl]-3-(3,5-dichlorophenyl)-9-methyl-2,4-dioxo-, inner salt;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3cnc(Cl)s3)c4cc(Cl)cc(Cl)c4
Molecular Formula
C19 H12 Cl3 N3 O2 S
Molecular Weight
452.74
InChI
InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3
Additionnal Information
IUPAC name: 1-[(2-chlorothiazol-5-yl)methyl]-3-(3,5-dichlorophenyl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-1-ium-2-olate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dicloromezotiaz

Dicloromezotiaz is a pyridopyrimidine that is 9-methyl-2,4-dioxo-2H-pyrido[1,2-a]pyrimidine substituted at positions 1 and 3 by (2-chloro-1,3-thiazol-5-yl)methyl and 3,5-dichlorophenyl groups respectively. A mesoionic insecticide used for control of rice hoppers. It has a role as an agrochemical. It is a dichlorobenzene, an organochlorine insecticide, an iminium betaine, a member of 1,3-thiazoles and a pyridopyrimidine.

CAS Number1263629-39-5
PubChem CID72549028
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(3,5-dichlorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
Molecular FormulaC19H12Cl3N3O2S
Molecular Weight452.7
XLogP5.4
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity800
SMILES
CC1=CC=CN2C1=[N+](C(=C(C2=O)C3=CC(=CC(=C3)Cl)Cl)[O-])CC4=CN=C(S4)Cl
InChI
InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3
InChIKey
PVDQXPBKBSCNJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicloromezotiaz
CAS: 1263629-39-5
CID: 72549028
Formula: C19H12Cl3N3O2S
MW: 452.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.7
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass450.971581
Monoisotopic Mass450.971581
Topological Polar Surface Area87.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5816358Dicloromezotiaz

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