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Chemical structure of (±)-Goitrin

GC40843

(±)-Goitrin

Also known as 5-ethenyl-1,3-oxazolidine-2-thione

(±)-Goitrin, also called (R, S)- report by the spring, consists of the epigoitrin (reported by the R- Spring) and the spring (-S- reported by spring), and the two mutually isomers, and the mixture is the ingredient of Radix

ChemicalCAS13190-34-6MW129.2FormulaC5H7NOS
CAS number
13190-34-6
Molecular weight
129.2
Formula
C5H7NOS
Solubility
DMSO : 100 mg/mL (774·11 mM; Need ultrasonic)
InChIKey
UZQVYLOFLQICCT-UHFFFAOYSA-N
Catalogue number
GC40843
Brand
GLPBIO
Computed properties PubChem CID 3034683 · XLogP 1 · TPSA 53.4 Ų · H-bond donors 1
XLogP
1
TPSA
53.4 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8

SMILES C=CC1CNC(=S)O1

Computed descriptors from PubChem (CID 3034683), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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