2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol

C15H14N2S — CID 116879370

IUPAC2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
SMILESSCCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C15H14N2S/c18-9-8-15-16-10-14(17-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10,18H,8-9H2,(H,16,17)
InChIKeyAZHOCVHAVANDBU-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.70
Rot. Bonds3

About 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol (PubChem CID 116879370) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
PubChem CID116879370
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
SMILESSCCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C15H14N2S/c18-9-8-15-16-10-14(17-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10,18H,8-9H2,(H,16,17)
InChIKeyAZHOCVHAVANDBU-UHFFFAOYSA-N
XLogP3.70
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol?
The IUPAC name of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol (CID 116879370) is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol is SCCc1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol?
The InChIKey is AZHOCVHAVANDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c18-9-8-15-16-10-14(17-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10,18H,8-9H2,(H,16,17).
What are the key properties of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol?
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol has a molecular weight of 254.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol is sourced from PubChem (CID 116879370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).