6-hydroxysulfanylcyclohexa-2,4-dien-1-ol

C6H8O2S — CID 166697849

IUPAC6-hydroxysulfanylcyclohexa-2,4-dien-1-ol
SMILESOSC1C=CC=CC1O
InChIInChI=1S/C6H8O2S/c7-5-3-1-2-4-6(5)9-8/h1-8H
InChIKeyKOZGJQOYVJWQRP-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.05
Rot. Bonds1

About 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol

6-hydroxysulfanylcyclohexa-2,4-dien-1-ol (PubChem CID 166697849) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-hydroxysulfanylcyclohexa-2,4-dien-1-ol
PubChem CID166697849
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name6-hydroxysulfanylcyclohexa-2,4-dien-1-ol
SMILESOSC1C=CC=CC1O
InChIInChI=1S/C6H8O2S/c7-5-3-1-2-4-6(5)9-8/h1-8H
InChIKeyKOZGJQOYVJWQRP-UHFFFAOYSA-N
XLogP1.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol (CID 166697849) is 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol is OSC1C=CC=CC1O.
What is the InChIKey of 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol?
The InChIKey is KOZGJQOYVJWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c7-5-3-1-2-4-6(5)9-8/h1-8H.
What are the key properties of 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol?
6-hydroxysulfanylcyclohexa-2,4-dien-1-ol has a molecular weight of 144.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxysulfanylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 166697849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).