Sulindac sulfide

CAT: 0024-sc-200118ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-200118ASize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

32004-67-4

Chemical Information

5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid

CAS Number	32004-67-4
PubChem CID	91605
IUPAC Name	2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
Molecular Formula	C20H17FO2S
Molecular Weight	340.4
XLogP	4.8
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	546

SMILES

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)

InChIKey

LFWHFZJPXXOYNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32004-67-4

CID: 91605

Formula: C20H17FO2S

MW: 340.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	340.09332912
Monoisotopic Mass	340.09332912
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	546
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B6074-5	Sulindac sulfide