2-tert-butyl-4-ethyl-6-sulfanylphenol

C12H18OS — CID 15789894

IUPAC2-tert-butyl-4-ethyl-6-sulfanylphenol
SMILESCCc1cc(S)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18OS/c1-5-8-6-9(12(2,3)4)11(13)10(14)7-8/h6-7,13-14H,5H2,1-4H3
InChIKeyUDMMXNPKSVZZPV-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.54
Rot. Bonds1

About 2-tert-butyl-4-ethyl-6-sulfanylphenol

2-tert-butyl-4-ethyl-6-sulfanylphenol (PubChem CID 15789894) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-6-sulfanylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-6-sulfanylphenol
PubChem CID15789894
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-tert-butyl-4-ethyl-6-sulfanylphenol
SMILESCCc1cc(S)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18OS/c1-5-8-6-9(12(2,3)4)11(13)10(14)7-8/h6-7,13-14H,5H2,1-4H3
InChIKeyUDMMXNPKSVZZPV-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-5-ethyl-2-hydroxybenzonitrile
CID 117291785
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
4-ethyl-2-(hydroxymethyl)-6-sulfanylphenol
CID 71319387
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
CID 101304331
2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
CID 71376111
2-[2-tert-butyl-6-[1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)ethyl]-4-ethylphenyl]prop-2-enoic acid
CID 91477113
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
4-butyl-2,6-ditert-butylphenol
CID 158079570
1,1-bis(2,6-ditert-butyl-4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 158209428
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
methyl 2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117420063
2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol
CID 146633192

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-6-sulfanylphenol?
The IUPAC name of 2-tert-butyl-4-ethyl-6-sulfanylphenol (CID 15789894) is 2-tert-butyl-4-ethyl-6-sulfanylphenol.
What is the SMILES notation for 2-tert-butyl-4-ethyl-6-sulfanylphenol?
The canonical SMILES for 2-tert-butyl-4-ethyl-6-sulfanylphenol is CCc1cc(S)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-ethyl-6-sulfanylphenol?
The InChIKey is UDMMXNPKSVZZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-5-8-6-9(12(2,3)4)11(13)10(14)7-8/h6-7,13-14H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethyl-6-sulfanylphenol?
2-tert-butyl-4-ethyl-6-sulfanylphenol has a molecular weight of 210.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-6-sulfanylphenol is sourced from PubChem (CID 15789894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).