Sulindac Sulfide Methyl Ester

CAT: 0572-TRC-S699315-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-S699315-100MGSize:100 mg

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CAS Number

106647-49-8

Synonyms

(1Z)-5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic Acid Methyl Ester; (Z)-5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic Acid Methyl Ester;

Hazard Statement

No Data Available

Smiles

COC(=O)CC1=C(C)\C(=C\c2ccc(SC)cc2)\c3ccc(F)cc13

Molecular Formula

C21H19FO2S

Molecular Weight

354.44

Shipping Conditions

Room Temperature

Chemical Information

Sulindac Sulfide Methyl Ester

CAS Number	106647-49-8
PubChem CID	16046334
IUPAC Name	methyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetate
Molecular Formula	C21H19FO2S
Molecular Weight	354.4
XLogP	5.1
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	560

SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)OC

InChI

InChI=1S/C21H19FO2S/c1-13-18(10-14-4-7-16(25-3)8-5-14)17-9-6-15(22)11-20(17)19(13)12-21(23)24-2/h4-11H,12H2,1-3H3/b18-10-

InChIKey

MYVOADOTMNPIRT-ZDLGFXPLSA-N

Chemical Structure

2D Structure

CAS: 106647-49-8

CID: 16046334

Formula: C21H19FO2S

MW: 354.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	354.10897918
Monoisotopic Mass	354.10897918
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-S699320-100MG	Sulindac Sulfone Methyl Ester
TRC-S699320-25MG	Sulindac Sulfone Methyl Ester
TRC-S699320-250MG	Sulindac Sulfone Methyl Ester
TRC-S699220-5MG	Sulindac Sulfide
TRC-S699220-25MG	Sulindac Sulfide
TRC-S699220-100MG	Sulindac Sulfide
TRC-S699357-2.5MG	Sulindac-d6 Methyl Ester
TRC-S699305-25MG	(R)-Sulindac Methyl Ester
TRC-S699305-10MG	(R)-Sulindac Methyl Ester
TRC-S699357-5MG	Sulindac-d6 Methyl Ester

Alternative Products

Catalog	Name
466664-01	Sulindac Sulfide Methyl Ester
HY-170265S	Sulindac methyl ester-d6
466666-01	Sulindac Sulfone Methyl Ester
466667-01	Sulindac-d6 Methyl Ester
464083-01	(R) -Sulindac Methyl Ester
sc-478820	Omeprazole Acid Methyl Ester Sulfide
MBS6022451-01	Omeprazole Acid-d3 Methyl Ester Sulfide
B6074-5	Sulindac sulfide

Sulindac Sulfide Methyl Ester

Chemical Information

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