[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid structure

[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid

2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic acid

Also Known As: S-4-Methylbenzyl-pmp|[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid|Beta-(4-methylbenzylsulfanyl)-beta,beta-cyclopentamethylene-propionic acid|6172AH|KM2496|2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic Acid|2-[1-(p-tolylmethylsulfanyl)cyclohexyl]acetic acid|Cyclohexaneacetic acid, 1-[[(4-methylphenyl)methyl]thio]-|b-(4-Methylbenzyl)mercapto-b,b-cyclopenta-methylene-propionic acid|2-(1-{[(4-methylphenyl)methyl]sulfanyl}cyclohexyl)acetic acid|beta-(4-Methyl-benzylsulfanyl)-beta,beta-cyclopentamethylene-propionic acid;S-(4-Methylbenzyl)-beta-mercapto-beta,beta-cyclopentamethylene-propionic acid|BETA-(4-METHYL-BENZYLSULFANYL)-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONIC ACID|beta-(4-Methylbenzyl)mercapto-beta,beta-cyclopenta-methylene-propionic acid|Beta-(4-methylbenzylsulfanyl)-beta,beta-cyclopentamethylene-propionicacid|-(4-Methyl-benzylsulfanyl)-,-cyclopentamethylene-propionic acid;S-(4-Methylbenzyl)--mercapto-,-cyclopentamethylene-propionic acid

CAS: 87242-91-9
Molecular Formula C16H22O2S
Molecular Weight 278.13406 g/mol
LogP 4.40582
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 5
Exact Mass 278.13406
Monoisotopic Mass 278.13406
Heavy Atoms 19
Complexity 418.88

Chemical Identifiers

CAS Number 87242-91-9
SMILES CC1=CC=C(C=C1)CSC2(CCCCC2)CC(=O)O

Product Overview

[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid (CAS 87242-91-9), with molecular formula C16H22O2S and molecular weight 278.13406 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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