4-ethylsulfanyl-2-methylphenol

C9H12OS — CID 21433026

IUPAC4-ethylsulfanyl-2-methylphenol
SMILESCCSc1ccc(O)c(C)c1
InChIInChI=1S/C9H12OS/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyJWSTUXKSAUURKX-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.81
Rot. Bonds2

About 4-ethylsulfanyl-2-methylphenol

4-ethylsulfanyl-2-methylphenol (PubChem CID 21433026) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methylphenol.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methylphenol
PubChem CID21433026
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name4-ethylsulfanyl-2-methylphenol
SMILESCCSc1ccc(O)c(C)c1
InChIInChI=1S/C9H12OS/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyJWSTUXKSAUURKX-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-methylphenol?
The IUPAC name of 4-ethylsulfanyl-2-methylphenol (CID 21433026) is 4-ethylsulfanyl-2-methylphenol.
What is the SMILES notation for 4-ethylsulfanyl-2-methylphenol?
The canonical SMILES for 4-ethylsulfanyl-2-methylphenol is CCSc1ccc(O)c(C)c1.
What is the InChIKey of 4-ethylsulfanyl-2-methylphenol?
The InChIKey is JWSTUXKSAUURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-methylphenol?
4-ethylsulfanyl-2-methylphenol has a molecular weight of 168.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methylphenol is sourced from PubChem (CID 21433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).