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
- Formal charge
- 0
- Complexity
- 344
Related reactions
10 records
Compound notes
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