4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol

C13H14O3S2 — CID 112596009

IUPAC4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
SMILESCS(=O)(=O)CCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14O3S2/c1-18(15,16)9-8-17-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3
InChIKeyRGMNSJOAKSYEMJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.68
Rot. Bonds4

About 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol

4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol (PubChem CID 112596009) has the molecular formula C13H14O3S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
PubChem CID112596009
Molecular FormulaC13H14O3S2
Molecular Weight282.39 g/mol
Exact Mass282.04
IUPAC Name4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
SMILESCS(=O)(=O)CCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14O3S2/c1-18(15,16)9-8-17-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3
InChIKeyRGMNSJOAKSYEMJ-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
CID 112596219
4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
CID 112596099
4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
CID 112596217
4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
CID 112596094
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
CID 112596223
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
CID 63659215
4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 113436442
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
2-methylpropane;naphthalene-1,4-diol
CID 144756444
N-(cyanomethyl)-2-(4-hydroxynaphthalen-1-yl)sulfanylacetamide
CID 112596059

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol (CID 112596009) is 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol is CS(=O)(=O)CCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol?
The InChIKey is RGMNSJOAKSYEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S2/c1-18(15,16)9-8-17-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3.
What are the key properties of 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol?
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).