4-[(4-sulfanylphenyl)disulfanyl]phenol

C12H10OS3 — CID 57249064

IUPAC4-[(4-sulfanylphenyl)disulfanyl]phenol
SMILESOc1ccc(SSc2ccc(S)cc2)cc1
InChIInChI=1S/C12H10OS3/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyICVFZNDBRNUVLO-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.48
Rot. Bonds3

About 4-[(4-sulfanylphenyl)disulfanyl]phenol

4-[(4-sulfanylphenyl)disulfanyl]phenol (PubChem CID 57249064) has the molecular formula C12H10OS3 and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[(4-sulfanylphenyl)disulfanyl]phenol.

Molecular Properties

Compound Name4-[(4-sulfanylphenyl)disulfanyl]phenol
PubChem CID57249064
Molecular FormulaC12H10OS3
Molecular Weight266.41 g/mol
Exact Mass265.99
IUPAC Name4-[(4-sulfanylphenyl)disulfanyl]phenol
SMILESOc1ccc(SSc2ccc(S)cc2)cc1
InChIInChI=1S/C12H10OS3/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyICVFZNDBRNUVLO-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-sulfanylphenyl)disulfanyl]phenol?
The IUPAC name of 4-[(4-sulfanylphenyl)disulfanyl]phenol (CID 57249064) is 4-[(4-sulfanylphenyl)disulfanyl]phenol.
What is the SMILES notation for 4-[(4-sulfanylphenyl)disulfanyl]phenol?
The canonical SMILES for 4-[(4-sulfanylphenyl)disulfanyl]phenol is Oc1ccc(SSc2ccc(S)cc2)cc1.
What is the InChIKey of 4-[(4-sulfanylphenyl)disulfanyl]phenol?
The InChIKey is ICVFZNDBRNUVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS3/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H.
What are the key properties of 4-[(4-sulfanylphenyl)disulfanyl]phenol?
4-[(4-sulfanylphenyl)disulfanyl]phenol has a molecular weight of 266.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-sulfanylphenyl)disulfanyl]phenol is sourced from PubChem (CID 57249064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).