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

Base Information

• Chemical Name: [1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-acetic acid
• CAS No.: 87242-92-0
• Molecular Formula: C16H22O3S
• Molecular Weight: 294.41
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10426833
• Wikidata: Q82239633
• Mol file: 87242-92-0.mol

Synonyms:87242-92-0;[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID;2-(1-((4-Methoxybenzyl)thio)cyclohexyl)acetic acid;Reagent M;2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetic Acid;2-(1-(4-Methoxybenzylthio)cyclohexyl)acetic acid;2-(1-{[(4-methoxyphenyl)methyl]sulfanyl}cyclohexyl)acetic acid;b-S-(4-Methoxybenzylmercapto)-b,b-cyclopentamethylene-propionic acid;beta-(4-Methoxy-benzylsulfanyl)-beta,beta-cyclopentamethylene-propionic acid;S-(4-Methoxybenzyl)-beta-mercapto-beta,beta-cyclopentamethylene-propionic acid;DTXSID10426833;MFCD00153490;AKOS027340231;beta-S-(4-Methoxybenzylmercapto)-beta,beta-cyclopentamethylene-propionic acid;AT17751;CS-0326178;[1-(4-Methoxybenzylsulfanyl)cyclohexyl]acetic acid;(1-{[(4-METHOXYPHENYL)METHYL]SULFANYL}CYCLOHEXYL)ACETIC ACID;beta -(S-p-Methoxybenzyl)- beta , beta -cyclopentamethylene-propionic acid;-(4-Methoxy-benzylsulfanyl)-,-cyclopentamethylene-propionic acid;S-(4-Methoxybenzyl)--mercapto-,-cyclopentamethylene-propionic acid;beta-(4-Methoxy-benzylsulfanyl)-beta,beta-cyclopentamethylene-propionic acid,s-(4-methoxybenzyl)-beta-mercapto-beta,beta-cyclopentamethylene-propionic acid

Chemical Property of [1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-acetic acid

Chemical Property:

• PSA: 71.83000
• LogP: 4.10600
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 294.12896573
• Heavy Atom Count: 20
• Complexity: 305

Purity/Quality:

98%Min ^*data from raw suppliers

[1-(4-Methoxy-benzylsulfanyl)-cyclohexyl]-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CSC2(CCCCC2)CC(=O)O

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