4-(trisulfanyl)phenol

C6H6OS3 — CID 158371834

IUPAC4-(trisulfanyl)phenol
SMILESOc1ccc(SSS)cc1
InChIInChI=1S/C6H6OS3/c7-5-1-3-6(4-2-5)9-10-8/h1-4,7-8H
InChIKeyCNSFYKQOLLXEDX-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.98
Rot. Bonds2

About 4-(trisulfanyl)phenol

4-(trisulfanyl)phenol (PubChem CID 158371834) has the molecular formula C6H6OS3 and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-(trisulfanyl)phenol.

Molecular Properties

Compound Name4-(trisulfanyl)phenol
PubChem CID158371834
Molecular FormulaC6H6OS3
Molecular Weight190.31 g/mol
Exact Mass189.96
IUPAC Name4-(trisulfanyl)phenol
SMILESOc1ccc(SSS)cc1
InChIInChI=1S/C6H6OS3/c7-5-1-3-6(4-2-5)9-10-8/h1-4,7-8H
InChIKeyCNSFYKQOLLXEDX-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.98
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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Related Compounds

4-[(4-sulfanylphenyl)disulfanyl]phenol
CID 57249064
4-(trifluoromethyldisulfanyl)phenol
CID 22485321
3-[(4-hydroxyphenyl)disulfanyl]phenol
CID 162512024
4-aminosulfanylphenol
CID 18172255
1,3-bis(trisulfanyl)benzene
CID 155237291
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
benzene-1,4-diol;hydron
CID 137356428
CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
sodium;hydride;4-methylsulfanylphenol
CID 174371659
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185

Frequently Asked Questions

What is the IUPAC name of 4-(trisulfanyl)phenol?
The IUPAC name of 4-(trisulfanyl)phenol (CID 158371834) is 4-(trisulfanyl)phenol.
What is the SMILES notation for 4-(trisulfanyl)phenol?
The canonical SMILES for 4-(trisulfanyl)phenol is Oc1ccc(SSS)cc1.
What is the InChIKey of 4-(trisulfanyl)phenol?
The InChIKey is CNSFYKQOLLXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS3/c7-5-1-3-6(4-2-5)9-10-8/h1-4,7-8H.
What are the key properties of 4-(trisulfanyl)phenol?
4-(trisulfanyl)phenol has a molecular weight of 190.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trisulfanyl)phenol is sourced from PubChem (CID 158371834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).