3-methoxy-2-sulfanylphenol

C7H8O2S — CID 67276724

IUPAC3-methoxy-2-sulfanylphenol
SMILESCOc1cccc(O)c1S
InChIInChI=1S/C7H8O2S/c1-9-6-4-2-3-5(8)7(6)10/h2-4,8,10H,1H3
InChIKeyVJHQXYPNGOYFBS-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.69
Rot. Bonds1

About 3-methoxy-2-sulfanylphenol

3-methoxy-2-sulfanylphenol (PubChem CID 67276724) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-methoxy-2-sulfanylphenol.

Molecular Properties

Compound Name3-methoxy-2-sulfanylphenol
PubChem CID67276724
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name3-methoxy-2-sulfanylphenol
SMILESCOc1cccc(O)c1S
InChIInChI=1S/C7H8O2S/c1-9-6-4-2-3-5(8)7(6)10/h2-4,8,10H,1H3
InChIKeyVJHQXYPNGOYFBS-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-2-sulfanylphenol?
The IUPAC name of 3-methoxy-2-sulfanylphenol (CID 67276724) is 3-methoxy-2-sulfanylphenol.
What is the SMILES notation for 3-methoxy-2-sulfanylphenol?
The canonical SMILES for 3-methoxy-2-sulfanylphenol is COc1cccc(O)c1S.
What is the InChIKey of 3-methoxy-2-sulfanylphenol?
The InChIKey is VJHQXYPNGOYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-9-6-4-2-3-5(8)7(6)10/h2-4,8,10H,1H3.
What are the key properties of 3-methoxy-2-sulfanylphenol?
3-methoxy-2-sulfanylphenol has a molecular weight of 156.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-sulfanylphenol is sourced from PubChem (CID 67276724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).