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DL-Goitrin

CAT: 0127-BUP10449-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10449-05Size:100 mg
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CAS Number
13190-34-6
Synonyms
Goitrin
Purity
=98%
Smiles
C(=C)C1OC(=S)NC1

Chemical Information

(+-)-Goitrin

5-ethenyl-1,3-oxazolidine-2-thione is a member of the class of oxazolidines that is 1,3-oxazolidine substituted by sulfanylidene and ethenyl groups at positions 2 and 5, respectively. It is a member of oxazolidines and an olefinic compound.

CAS Number13190-34-6
PubChem CID3034683
IUPAC Name5-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=CC1CNC(=S)O1
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
InChIKey
UZQVYLOFLQICCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Goitrin
CAS: 13190-34-6
CID: 3034683
Formula: C5H7NOS
MW: 129.18
Interactive 3D Structure
Loading 3D structure...
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes