5-tert-butylsulfanyl-2-methylphenol

C11H16OS — CID 18679128

IUPAC5-tert-butylsulfanyl-2-methylphenol
SMILESCc1ccc(SC(C)(C)C)cc1O
InChIInChI=1S/C11H16OS/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7,12H,1-4H3
InChIKeyHONUGRDUFCOVGC-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.59
Rot. Bonds1

About 5-tert-butylsulfanyl-2-methylphenol

5-tert-butylsulfanyl-2-methylphenol (PubChem CID 18679128) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-2-methylphenol.

Molecular Properties

Compound Name5-tert-butylsulfanyl-2-methylphenol
PubChem CID18679128
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name5-tert-butylsulfanyl-2-methylphenol
SMILESCc1ccc(SC(C)(C)C)cc1O
InChIInChI=1S/C11H16OS/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7,12H,1-4H3
InChIKeyHONUGRDUFCOVGC-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butylsulfanyl-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-2-methylphenol?
The IUPAC name of 5-tert-butylsulfanyl-2-methylphenol (CID 18679128) is 5-tert-butylsulfanyl-2-methylphenol.
What is the SMILES notation for 5-tert-butylsulfanyl-2-methylphenol?
The canonical SMILES for 5-tert-butylsulfanyl-2-methylphenol is Cc1ccc(SC(C)(C)C)cc1O.
What is the InChIKey of 5-tert-butylsulfanyl-2-methylphenol?
The InChIKey is HONUGRDUFCOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7,12H,1-4H3.
What are the key properties of 5-tert-butylsulfanyl-2-methylphenol?
5-tert-butylsulfanyl-2-methylphenol has a molecular weight of 196.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-2-methylphenol is sourced from PubChem (CID 18679128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).