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Epigoitrin

CAT: 0926-FE42757-05Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FE42757-05Size:250 mg
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CAS Number
1072-93-1
MDL Number
MFCD01709801
Smiles
C=C[C@@H]1CNC (=S) O1
Molecular Formula
C5H7NOS
Molecular Weight
129.18 g/mol
Controlled
No

Chemical Information

Epigoitrin

(R)-goitrin is a 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. It has a role as an antiviral agent and a plant metabolite. It is an enantiomer of a (S)-goitrin.

CAS Number1072-93-1
PubChem CID3032313
IUPAC Name(5R)-5-ethenyl-1,3-oxazolidine-2-thione
Molecular FormulaC5H7NOS
Molecular Weight129.18
XLogP1
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity124
SMILES
C=C[C@@H]1CNC(=S)O1
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1
InChIKey
UZQVYLOFLQICCT-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of Epigoitrin
CAS: 1072-93-1
CID: 3032313
Formula: C5H7NOS
MW: 129.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.18
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.02483502
Monoisotopic Mass129.02483502
Topological Polar Surface Area53.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TE131427Epigoitrin
HY-N0224REpigoitrin (Standard)

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