4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol

C16H14OS2 — CID 112596099

IUPAC4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCc2ccsc2)c2ccccc12
InChIInChI=1S/C16H14OS2/c17-15-5-6-16(14-4-2-1-3-13(14)15)19-10-8-12-7-9-18-11-12/h1-7,9,11,17H,8,10H2
InChIKeyCRSUUDLLNJYOFV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.94
Rot. Bonds4

About 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol

4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol (PubChem CID 112596099) has the molecular formula C16H14OS2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
PubChem CID112596099
Molecular FormulaC16H14OS2
Molecular Weight286.42 g/mol
Exact Mass286.05
IUPAC Name4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCc2ccsc2)c2ccccc12
InChIInChI=1S/C16H14OS2/c17-15-5-6-16(14-4-2-1-3-13(14)15)19-10-8-12-7-9-18-11-12/h1-7,9,11,17H,8,10H2
InChIKeyCRSUUDLLNJYOFV-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
2-(2-phenylethylsulfanyl)phenol
CID 10823369
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
CID 61475104
4-chloro-2-(2-thiophen-3-ylethylsulfanyl)aniline
CID 79528136
4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 113436442
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
2-(2-thiophen-3-ylethylsulfanyl)butanoic acid
CID 105352892
2-thiophen-3-ylethyl carbamimidothioate
CID 65211727

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol (CID 112596099) is 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol is Oc1ccc(SCCc2ccsc2)c2ccccc12.
What is the InChIKey of 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol?
The InChIKey is CRSUUDLLNJYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS2/c17-15-5-6-16(14-4-2-1-3-13(14)15)19-10-8-12-7-9-18-11-12/h1-7,9,11,17H,8,10H2.
What are the key properties of 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol?
4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol has a molecular weight of 286.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).