Brassinin
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Brassinin
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CAS No:
105748-59-2
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Formula:
C11H12N2S2
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Chemical Name:
Brassinin
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Synonyms:
Carbamodithioic acid,N-(1H-indol-3-ylmethyl)-,methyl ester;Carbamodithioic acid,(1H-indol-3-ylmethyl)-,methyl ester;Brassinine;Brassinin;SML 1635
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CAS No:
Description
Off-White to Pale Yellow Solid
Solid
Brassinin is a dithiocarbamic ester and an indole phytoalexin.
Characteristics
85.2
2.74
Solid
1.3±0.1 g/cm3
133-135 °C @ Solvent: Dichloromethane, Hexane
436.9±47.0 °C at 760 mmHg
218.0±29.3 °C
1.732
-20°C Freezer, Under Inert Atmosphere
7.8E-08mmHg at 25°C
Brassinin Use and Manufacturing
Brassinin is a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins produced by plants of the family Brassicaceae (Cruciferae).
Computed Properties
Molecular Weight:236.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:236.04419074
Monoisotopic Mass:236.04419074
Topological Polar Surface Area:85.2
Heavy Atom Count:15
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes