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(S) -Thalidomide

CAT: 0127-BUP10974-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10974-05Size:100 mg
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CAS Number
841-67-8
Synonyms
(S) - (-) -Thalidomide
Purity
=98%
Smiles
O=C1N(C(=O)C=2C1=CC=CC2)[C@@H]3C(=O)NC(=O)CC3

Chemical Information

(S)-Thalidomide

(S)-thalidomide is a 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre. It has a role as a teratogenic agent. It is an enantiomer of a (R)-thalidomide.

CAS Number841-67-8
PubChem CID92142
IUPAC Name2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Molecular FormulaC13H10N2O4
Molecular Weight258.23
XLogP0.3
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity449
SMILES
C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
InChIKey
UEJJHQNACJXSKW-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (S)-Thalidomide
CAS: 841-67-8
CID: 92142
Formula: C13H10N2O4
MW: 258.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass258.06405680
Monoisotopic Mass258.06405680
Topological Polar Surface Area83.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity449
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

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