2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol

C10H14O2S — CID 102327580

IUPAC2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol
SMILESCCSc1c(O)cc(C)c(O)c1C
InChIInChI=1S/C10H14O2S/c1-4-13-10-7(3)9(12)6(2)5-8(10)11/h5,11-12H,4H2,1-3H3
InChIKeyQMYMLABTIBNTRT-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.83
Rot. Bonds2

About 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol

2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol (PubChem CID 102327580) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol
PubChem CID102327580
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol
SMILESCCSc1c(O)cc(C)c(O)c1C
InChIInChI=1S/C10H14O2S/c1-4-13-10-7(3)9(12)6(2)5-8(10)11/h5,11-12H,4H2,1-3H3
InChIKeyQMYMLABTIBNTRT-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol?
The IUPAC name of 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol (CID 102327580) is 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol?
The canonical SMILES for 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol is CCSc1c(O)cc(C)c(O)c1C.
What is the InChIKey of 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol?
The InChIKey is QMYMLABTIBNTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-13-10-7(3)9(12)6(2)5-8(10)11/h5,11-12H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol?
2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol has a molecular weight of 198.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3,5-dimethylbenzene-1,4-diol is sourced from PubChem (CID 102327580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).