2-methoxy-4-methylbenzenethiol

C8H10OS — CID 12772784

IUPAC2-methoxy-4-methylbenzenethiol
SMILESCOc1cc(C)ccc1S
InChIInChI=1S/C8H10OS/c1-6-3-4-8(10)7(5-6)9-2/h3-5,10H,1-2H3
InChIKeyYBDVVSMQYQJAER-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.29
Rot. Bonds1

About 2-methoxy-4-methylbenzenethiol

2-methoxy-4-methylbenzenethiol (PubChem CID 12772784) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-methoxy-4-methylbenzenethiol.

Molecular Properties

Compound Name2-methoxy-4-methylbenzenethiol
PubChem CID12772784
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-methoxy-4-methylbenzenethiol
SMILESCOc1cc(C)ccc1S
InChIInChI=1S/C8H10OS/c1-6-3-4-8(10)7(5-6)9-2/h3-5,10H,1-2H3
InChIKeyYBDVVSMQYQJAER-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methoxy-4-methylbenzenethiol?
The IUPAC name of 2-methoxy-4-methylbenzenethiol (CID 12772784) is 2-methoxy-4-methylbenzenethiol.
What is the SMILES notation for 2-methoxy-4-methylbenzenethiol?
The canonical SMILES for 2-methoxy-4-methylbenzenethiol is COc1cc(C)ccc1S.
What is the InChIKey of 2-methoxy-4-methylbenzenethiol?
The InChIKey is YBDVVSMQYQJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6-3-4-8(10)7(5-6)9-2/h3-5,10H,1-2H3.
What are the key properties of 2-methoxy-4-methylbenzenethiol?
2-methoxy-4-methylbenzenethiol has a molecular weight of 154.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylbenzenethiol is sourced from PubChem (CID 12772784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).