2-sulfanylbenzene-1,4-diol

C6H6O2S — CID 2736167

IUPAC2-sulfanylbenzene-1,4-diol
SMILESOc1ccc(O)c(S)c1
InChIInChI=1S/C6H6O2S/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKeyZFQJFYYGUOXGRF-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.39
Rot. Bonds

About 2-sulfanylbenzene-1,4-diol

2-sulfanylbenzene-1,4-diol (PubChem CID 2736167) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-sulfanylbenzene-1,4-diol.

Molecular Properties

Compound Name2-sulfanylbenzene-1,4-diol
PubChem CID2736167
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name2-sulfanylbenzene-1,4-diol
SMILESOc1ccc(O)c(S)c1
InChIInChI=1S/C6H6O2S/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKeyZFQJFYYGUOXGRF-UHFFFAOYSA-N
XLogP1.39
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylbenzene-1,4-diol?
The IUPAC name of 2-sulfanylbenzene-1,4-diol (CID 2736167) is 2-sulfanylbenzene-1,4-diol.
What is the SMILES notation for 2-sulfanylbenzene-1,4-diol?
The canonical SMILES for 2-sulfanylbenzene-1,4-diol is Oc1ccc(O)c(S)c1.
What is the InChIKey of 2-sulfanylbenzene-1,4-diol?
The InChIKey is ZFQJFYYGUOXGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H.
What are the key properties of 2-sulfanylbenzene-1,4-diol?
2-sulfanylbenzene-1,4-diol has a molecular weight of 142.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylbenzene-1,4-diol is sourced from PubChem (CID 2736167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).