3-[(4-hydroxyphenyl)disulfanyl]phenol

C12H10O2S2 — CID 162512024

IUPAC3-[(4-hydroxyphenyl)disulfanyl]phenol
SMILESOc1ccc(SSc2cccc(O)c2)cc1
InChIInChI=1S/C12H10O2S2/c13-9-4-6-11(7-5-9)15-16-12-3-1-2-10(14)8-12/h1-8,13-14H
InChIKeyWZHVMQHIBGAWOF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.90
Rot. Bonds3

About 3-[(4-hydroxyphenyl)disulfanyl]phenol

3-[(4-hydroxyphenyl)disulfanyl]phenol (PubChem CID 162512024) has the molecular formula C12H10O2S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)disulfanyl]phenol.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)disulfanyl]phenol
PubChem CID162512024
Molecular FormulaC12H10O2S2
Molecular Weight250.34 g/mol
Exact Mass250.01
IUPAC Name3-[(4-hydroxyphenyl)disulfanyl]phenol
SMILESOc1ccc(SSc2cccc(O)c2)cc1
InChIInChI=1S/C12H10O2S2/c13-9-4-6-11(7-5-9)15-16-12-3-1-2-10(14)8-12/h1-8,13-14H
InChIKeyWZHVMQHIBGAWOF-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)disulfanyl]phenol?
The IUPAC name of 3-[(4-hydroxyphenyl)disulfanyl]phenol (CID 162512024) is 3-[(4-hydroxyphenyl)disulfanyl]phenol.
What is the SMILES notation for 3-[(4-hydroxyphenyl)disulfanyl]phenol?
The canonical SMILES for 3-[(4-hydroxyphenyl)disulfanyl]phenol is Oc1ccc(SSc2cccc(O)c2)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)disulfanyl]phenol?
The InChIKey is WZHVMQHIBGAWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S2/c13-9-4-6-11(7-5-9)15-16-12-3-1-2-10(14)8-12/h1-8,13-14H.
What are the key properties of 3-[(4-hydroxyphenyl)disulfanyl]phenol?
3-[(4-hydroxyphenyl)disulfanyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)disulfanyl]phenol is sourced from PubChem (CID 162512024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).