2,6-dimethyl-3-methylsulfanylphenol

C9H12OS — CID 13199348

IUPAC2,6-dimethyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C
InChIInChI=1S/C9H12OS/c1-6-4-5-8(11-3)7(2)9(6)10/h4-5,10H,1-3H3
InChIKeyCLQMHJYXVYTCPF-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.73
Rot. Bonds1

About 2,6-dimethyl-3-methylsulfanylphenol

2,6-dimethyl-3-methylsulfanylphenol (PubChem CID 13199348) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2,6-dimethyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2,6-dimethyl-3-methylsulfanylphenol
PubChem CID13199348
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2,6-dimethyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C
InChIInChI=1S/C9H12OS/c1-6-4-5-8(11-3)7(2)9(6)10/h4-5,10H,1-3H3
InChIKeyCLQMHJYXVYTCPF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-methylsulfanylphenol?
The IUPAC name of 2,6-dimethyl-3-methylsulfanylphenol (CID 13199348) is 2,6-dimethyl-3-methylsulfanylphenol.
What is the SMILES notation for 2,6-dimethyl-3-methylsulfanylphenol?
The canonical SMILES for 2,6-dimethyl-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1C.
What is the InChIKey of 2,6-dimethyl-3-methylsulfanylphenol?
The InChIKey is CLQMHJYXVYTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-6-4-5-8(11-3)7(2)9(6)10/h4-5,10H,1-3H3.
What are the key properties of 2,6-dimethyl-3-methylsulfanylphenol?
2,6-dimethyl-3-methylsulfanylphenol has a molecular weight of 168.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-methylsulfanylphenol is sourced from PubChem (CID 13199348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).