1-nitroso-4-phenylsulfanylnaphthalen-2-ol

C16H11NO2S — CID 15325435

IUPAC1-nitroso-4-phenylsulfanylnaphthalen-2-ol
SMILESO=Nc1c(O)cc(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C16H11NO2S/c18-14-10-15(20-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(14)17-19/h1-10,18H
InChIKeyZDFIMAIWSTYMCA-UHFFFAOYSA-N
MW281.34 g/mol
LogP5.09
Rot. Bonds3

About 1-nitroso-4-phenylsulfanylnaphthalen-2-ol

1-nitroso-4-phenylsulfanylnaphthalen-2-ol (PubChem CID 15325435) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-nitroso-4-phenylsulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name1-nitroso-4-phenylsulfanylnaphthalen-2-ol
PubChem CID15325435
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name1-nitroso-4-phenylsulfanylnaphthalen-2-ol
SMILESO=Nc1c(O)cc(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C16H11NO2S/c18-14-10-15(20-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(14)17-19/h1-10,18H
InChIKeyZDFIMAIWSTYMCA-UHFFFAOYSA-N
XLogP5.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanylnaphthalene-1,4-diol
CID 15508792
9,10-dinitrosoanthracene
CID 88553445
CID 159774237
CID 159774237
2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
CID 102103900
ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
CID 144779161
1-phenylsulfanylphenanthrene
CID 172559592
3-phenylsulfanyl-2-sulfanyloxyphenol
CID 172565147
4-phenylsulfanylnaphthalen-1-amine
CID 21454455
3-hydroxy-6-naphthalen-1-yl-4-phenylsulfanylpyran-2-one
CID 86231779
4,8-diamino-1,5-dihydroxy-2,6-bis(phenylsulfanyl)anthracene-9,10-dione
CID 163939420
ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
CID 90725026
1-amino-5,8-dihydroxy-4-phenylsulfanylanthracene-9,10-dione
CID 70542073

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-phenylsulfanylnaphthalen-2-ol?
The IUPAC name of 1-nitroso-4-phenylsulfanylnaphthalen-2-ol (CID 15325435) is 1-nitroso-4-phenylsulfanylnaphthalen-2-ol.
What is the SMILES notation for 1-nitroso-4-phenylsulfanylnaphthalen-2-ol?
The canonical SMILES for 1-nitroso-4-phenylsulfanylnaphthalen-2-ol is O=Nc1c(O)cc(Sc2ccccc2)c2ccccc12.
What is the InChIKey of 1-nitroso-4-phenylsulfanylnaphthalen-2-ol?
The InChIKey is ZDFIMAIWSTYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-14-10-15(20-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(14)17-19/h1-10,18H.
What are the key properties of 1-nitroso-4-phenylsulfanylnaphthalen-2-ol?
1-nitroso-4-phenylsulfanylnaphthalen-2-ol has a molecular weight of 281.34 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-phenylsulfanylnaphthalen-2-ol is sourced from PubChem (CID 15325435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).