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Irgarol

CAT: 0013-GTR19208668-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208668-03Size:100 mg
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Description
Irgarol is a potent and selective photosynthesis inhibitor, widely used in agricultural and environmental research. It serves as a key tool for studying herbicide mechanisms and algal growth in both in vitro assays and in vivo ecotoxicology studies.
CAS Number
28159-98-0
Smiles
CSc1nc (NC2CC2) nc (NC (C) (C) C) n1
Molecular Formula
C11H19N5S
Molecular Weight
253.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Irgarol

Irgarol 1051 is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6. It has a role as a xenobiotic, an antifouling biocide and an environmental contaminant. It is an aryl sulfide, a diamino-1,3,5-triazine and a member of cyclopropanes. It is functionally related to a 1,3,5-triazine-2,4-diamine. It derives from a hydride of a 1,3,5-triazine.

CAS Number28159-98-0
PubChem CID91590
IUPAC Name2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Molecular FormulaC11H19N5S
Molecular Weight253.37
XLogP3.9
Topological Polar Surface Area88
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity251
SMILES
CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC
InChI
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
HDHLIWCXDDZUFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irgarol
CAS: 28159-98-0
CID: 91590
Formula: C11H19N5S
MW: 253.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.37
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass253.13611680
Monoisotopic Mass253.13611680
Topological Polar Surface Area88 Ų
Heavy Atom Count17
Formal Charge0
Complexity251
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

Related Products

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Alternative Products

CatalogName
280493-01Irgarol
TRC-I764102-2.5MGIrgarol-d9
S-49101000ug/mL Irgarol 1051 in MeOH - 1ML
TRC-D293995-100MGDes-N-Cyclopropyl Des-6-(Methylthio) Irgarol
P876730Irgarol 1051 [CAS:28159-98-0] 100 ug/ml in Methanol
I8610-50Irgarol (N-Cyclopropyl-N’- (1,1-dimethylethyl) -6- (methylthio) -1,3,5-triazine-2,4-diamine, _x000B_2- (tert-Butylamino) -4- (cyclopropylamino) -6- (methylthio) -s-triazine)
MBS6028486-01Irgarol (N-Cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine)

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