4-phenoxybenzenethiol

C12H10OS — CID 2760354

IUPAC4-phenoxybenzenethiol
SMILESSc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
InChIKeyVUFOTXYLUWEYFC-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.77
Rot. Bonds2

About 4-phenoxybenzenethiol

4-phenoxybenzenethiol (PubChem CID 2760354) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-phenoxybenzenethiol.

Molecular Properties

Compound Name4-phenoxybenzenethiol
PubChem CID2760354
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name4-phenoxybenzenethiol
SMILESSc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
InChIKeyVUFOTXYLUWEYFC-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.77
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 4-phenoxybenzenethiol?
The IUPAC name of 4-phenoxybenzenethiol (CID 2760354) is 4-phenoxybenzenethiol.
What is the SMILES notation for 4-phenoxybenzenethiol?
The canonical SMILES for 4-phenoxybenzenethiol is Sc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxybenzenethiol?
The InChIKey is VUFOTXYLUWEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H.
What are the key properties of 4-phenoxybenzenethiol?
4-phenoxybenzenethiol has a molecular weight of 202.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzenethiol is sourced from PubChem (CID 2760354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).