2-ethylsulfanylnaphthalene-1,4-diol

C12H12O2S — CID 102327585

IUPAC2-ethylsulfanylnaphthalene-1,4-diol
SMILESCCSc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H12O2S/c1-2-15-11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,2H2,1H3
InChIKeyMFVZRLPANRNCLE-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.36
Rot. Bonds2

About 2-ethylsulfanylnaphthalene-1,4-diol

2-ethylsulfanylnaphthalene-1,4-diol (PubChem CID 102327585) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-ethylsulfanylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-ethylsulfanylnaphthalene-1,4-diol
PubChem CID102327585
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-ethylsulfanylnaphthalene-1,4-diol
SMILESCCSc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H12O2S/c1-2-15-11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,2H2,1H3
InChIKeyMFVZRLPANRNCLE-UHFFFAOYSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.36
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-ethylsulfanylnaphthalene-1,4-diol?
The IUPAC name of 2-ethylsulfanylnaphthalene-1,4-diol (CID 102327585) is 2-ethylsulfanylnaphthalene-1,4-diol.
What is the SMILES notation for 2-ethylsulfanylnaphthalene-1,4-diol?
The canonical SMILES for 2-ethylsulfanylnaphthalene-1,4-diol is CCSc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-ethylsulfanylnaphthalene-1,4-diol?
The InChIKey is MFVZRLPANRNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-2-15-11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,2H2,1H3.
What are the key properties of 2-ethylsulfanylnaphthalene-1,4-diol?
2-ethylsulfanylnaphthalene-1,4-diol has a molecular weight of 220.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylnaphthalene-1,4-diol is sourced from PubChem (CID 102327585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).