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Sulindac - Bio-X TM

CAT: 0926-BS166205Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BS166205Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38194-50-2
Synonyms
(1Z) -5-Fluoro-2-methyl-1- (4- (methylsulfinyl) phenylmethylene-1H-indene-3-acetic acid; cis-5-Fluoro-2-methyl-1- (p-methylsulfinyl) be
MDL Number
MFCD00599589
Smiles
CC\1=C (C2=C (/C1=C\C3=CC=C (C=C3) S (=O) C) C=CC (=C2) F) CC (=O) O
Molecular Formula
C20H17FO3S
Molecular Weight
356.41 g/mol
Controlled
No

Chemical Information

Sulindac

Sulindac can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number38194-50-2
PubChem CID1548887
IUPAC Name2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
Molecular FormulaC20H17FO3S
Molecular Weight356.4
XLogP3.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity616
SMILES
CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
InChIKey
MLKXDPUZXIRXEP-MFOYZWKCSA-N
Chemical Structure
2D Structure
2D structure of Sulindac
CAS: 38194-50-2
CID: 1548887
Formula: C20H17FO3S
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.08824374
Monoisotopic Mass356.08824374
Topological Polar Surface Area73.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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