3-methyl-2-(2-methylphenyl)benzenethiol

C14H14S — CID 5255685

IUPAC3-methyl-2-(2-methylphenyl)benzenethiol
SMILESCc1ccccc1-c1c(C)cccc1S
InChIInChI=1S/C14H14S/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)15/h3-9,15H,1-2H3
InChIKeyMJUWAFUYJBJVEE-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.26
Rot. Bonds1

About 3-methyl-2-(2-methylphenyl)benzenethiol

3-methyl-2-(2-methylphenyl)benzenethiol (PubChem CID 5255685) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)benzenethiol.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)benzenethiol
PubChem CID5255685
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name3-methyl-2-(2-methylphenyl)benzenethiol
SMILESCc1ccccc1-c1c(C)cccc1S
InChIInChI=1S/C14H14S/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)15/h3-9,15H,1-2H3
InChIKeyMJUWAFUYJBJVEE-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)benzenethiol?
The IUPAC name of 3-methyl-2-(2-methylphenyl)benzenethiol (CID 5255685) is 3-methyl-2-(2-methylphenyl)benzenethiol.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)benzenethiol?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)benzenethiol is Cc1ccccc1-c1c(C)cccc1S.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)benzenethiol?
The InChIKey is MJUWAFUYJBJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)15/h3-9,15H,1-2H3.
What are the key properties of 3-methyl-2-(2-methylphenyl)benzenethiol?
3-methyl-2-(2-methylphenyl)benzenethiol has a molecular weight of 214.33 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)benzenethiol is sourced from PubChem (CID 5255685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).