4-pyrazin-2-ylsulfanylnaphthalen-1-ol

C14H10N2OS — CID 112596159

IUPAC4-pyrazin-2-ylsulfanylnaphthalen-1-ol
SMILESOc1ccc(Sc2cnccn2)c2ccccc12
InChIInChI=1S/C14H10N2OS/c17-12-5-6-13(11-4-2-1-3-10(11)12)18-14-9-15-7-8-16-14/h1-9,17H
InChIKeyUBFWDNVJORNLIT-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.49
Rot. Bonds2

About 4-pyrazin-2-ylsulfanylnaphthalen-1-ol

4-pyrazin-2-ylsulfanylnaphthalen-1-ol (PubChem CID 112596159) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylnaphthalen-1-ol
PubChem CID112596159
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name4-pyrazin-2-ylsulfanylnaphthalen-1-ol
SMILESOc1ccc(Sc2cnccn2)c2ccccc12
InChIInChI=1S/C14H10N2OS/c17-12-5-6-13(11-4-2-1-3-10(11)12)18-14-9-15-7-8-16-14/h1-9,17H
InChIKeyUBFWDNVJORNLIT-UHFFFAOYSA-N
XLogP3.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol
CID 104777738
4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol
CID 115945326
2-(2-iodophenyl)sulfanylpyrazine
CID 14689443
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685
6-pyrazin-2-ylsulfanylquinolin-5-amine
CID 63380932
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
4-(4-methylpyrimidin-2-yl)sulfanylnaphthalen-1-ol
CID 112596177
2-pyrazin-2-ylsulfanylbenzonitrile
CID 63380568
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol
CID 114787358

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-ylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-pyrazin-2-ylsulfanylnaphthalen-1-ol (CID 112596159) is 4-pyrazin-2-ylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-pyrazin-2-ylsulfanylnaphthalen-1-ol is Oc1ccc(Sc2cnccn2)c2ccccc12.
What is the InChIKey of 4-pyrazin-2-ylsulfanylnaphthalen-1-ol?
The InChIKey is UBFWDNVJORNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-12-5-6-13(11-4-2-1-3-10(11)12)18-14-9-15-7-8-16-14/h1-9,17H.
What are the key properties of 4-pyrazin-2-ylsulfanylnaphthalen-1-ol?
4-pyrazin-2-ylsulfanylnaphthalen-1-ol has a molecular weight of 254.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 112596159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).