4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol

C13H12O2S2 — CID 14794071

IUPAC4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
SMILESOc1ccc(SCSc2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O2S2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,14-15H,9H2
InChIKeyYAGYXQFRNFMKKC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.94
Rot. Bonds4

About 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol

4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol (PubChem CID 14794071) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
PubChem CID14794071
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
SMILESOc1ccc(SCSc2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O2S2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,14-15H,9H2
InChIKeyYAGYXQFRNFMKKC-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol (CID 14794071) is 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol is Oc1ccc(SCSc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol?
The InChIKey is YAGYXQFRNFMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,14-15H,9H2.
What are the key properties of 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol?
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol is sourced from PubChem (CID 14794071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).