(S) -Sulindac

CAT: 0024-sc-474923Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-474923Size:5 mg

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CAS Number

149116-77-8

Chemical Information

Sulindac, (S)-

NSAID; structure in first source

CAS Number	149116-77-8
PubChem CID	11245227
IUPAC Name	2-[(3Z)-6-fluoro-2-methyl-3-[[4-[(S)-methylsulfinyl]phenyl]methylidene]inden-1-yl]acetic acid
Molecular Formula	C20H17FO3S
Molecular Weight	356.4
XLogP	3.4
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	616

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-/t25-/m0/s1

InChIKey

MLKXDPUZXIRXEP-WXKFDZDZSA-N

Chemical Structure

2D Structure

CAS: 149116-77-8

CID: 11245227

Formula: C20H17FO3S

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	356.08824374
Monoisotopic Mass	356.08824374
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	616
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FS27969-01	Sulindac