3,5-dimethyl-2-sulfanylbenzene-1,4-diol

C8H10O2S — CID 102467791

IUPAC3,5-dimethyl-2-sulfanylbenzene-1,4-diol
SMILESCc1cc(O)c(S)c(C)c1O
InChIInChI=1S/C8H10O2S/c1-4-3-6(9)8(11)5(2)7(4)10/h3,9-11H,1-2H3
InChIKeyGZIILRNTHJLDGA-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.00
Rot. Bonds

About 3,5-dimethyl-2-sulfanylbenzene-1,4-diol

3,5-dimethyl-2-sulfanylbenzene-1,4-diol (PubChem CID 102467791) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-sulfanylbenzene-1,4-diol.

Molecular Properties

Compound Name3,5-dimethyl-2-sulfanylbenzene-1,4-diol
PubChem CID102467791
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name3,5-dimethyl-2-sulfanylbenzene-1,4-diol
SMILESCc1cc(O)c(S)c(C)c1O
InChIInChI=1S/C8H10O2S/c1-4-3-6(9)8(11)5(2)7(4)10/h3,9-11H,1-2H3
InChIKeyGZIILRNTHJLDGA-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.00
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'}

Analyze 3,5-dimethyl-2-sulfanylbenzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-sulfanylbenzene-1,4-diol?
The IUPAC name of 3,5-dimethyl-2-sulfanylbenzene-1,4-diol (CID 102467791) is 3,5-dimethyl-2-sulfanylbenzene-1,4-diol.
What is the SMILES notation for 3,5-dimethyl-2-sulfanylbenzene-1,4-diol?
The canonical SMILES for 3,5-dimethyl-2-sulfanylbenzene-1,4-diol is Cc1cc(O)c(S)c(C)c1O.
What is the InChIKey of 3,5-dimethyl-2-sulfanylbenzene-1,4-diol?
The InChIKey is GZIILRNTHJLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-4-3-6(9)8(11)5(2)7(4)10/h3,9-11H,1-2H3.
What are the key properties of 3,5-dimethyl-2-sulfanylbenzene-1,4-diol?
3,5-dimethyl-2-sulfanylbenzene-1,4-diol has a molecular weight of 170.23 g/mol, XLogP of 2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-sulfanylbenzene-1,4-diol is sourced from PubChem (CID 102467791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).