Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-

HCID 9840255

Completing data — usually done within a minute

Basic information

CAS
105077-31-4
Standard SMILES
CC(C)(C)c1cc(SCCCC(=O)O)cc(C(C)(C)C)c1O
InChIKey
JSGBATMAAQLVPD-UHFFFAOYSA-N
Molecular formula
C18H28O3S
Average molar mass
324.5 g/mol
Monoisotopic mass
324.17591576

Names & identifiers

Preferred name
Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-
IUPAC
4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutanoic acid

Names & synonyms

105077-31-4Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-SCHEMBL7699048DTXSID10431689JSGBATMAAQLVPD-UHFFFAOYSA-N4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]butanoic acid4-[(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)SULFANYL]BUTANOIC ACID4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxy phenyl]thio]butanoic acid

Database identifiers

CAS
105077-31-4
PubChem CID
9840255
DTXSID
DTXSID10431689

Properties

Computed structural propertiesFilling in

XLogP
5.3
Topological polar surface area
82.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Related reactions

10 records

Compound notes

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