N-naphthalen-1-yl-N-phenylthiohydroxylamine

C16H13NS — CID 57319297

IUPACN-naphthalen-1-yl-N-phenylthiohydroxylamine
SMILESSN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NS/c18-17(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,18H
InChIKeyHSOCRLAZYGHNPT-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.82
Rot. Bonds2

About N-naphthalen-1-yl-N-phenylthiohydroxylamine

N-naphthalen-1-yl-N-phenylthiohydroxylamine (PubChem CID 57319297) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenylthiohydroxylamine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenylthiohydroxylamine
PubChem CID57319297
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC NameN-naphthalen-1-yl-N-phenylthiohydroxylamine
SMILESSN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NS/c18-17(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,18H
InChIKeyHSOCRLAZYGHNPT-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N'-naphthalen-1-yl-N'-phenylmethanediamine
CID 144646695
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenylthiohydroxylamine?
The IUPAC name of N-naphthalen-1-yl-N-phenylthiohydroxylamine (CID 57319297) is N-naphthalen-1-yl-N-phenylthiohydroxylamine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenylthiohydroxylamine?
The canonical SMILES for N-naphthalen-1-yl-N-phenylthiohydroxylamine is SN(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N-phenylthiohydroxylamine?
The InChIKey is HSOCRLAZYGHNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c18-17(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,18H.
What are the key properties of N-naphthalen-1-yl-N-phenylthiohydroxylamine?
N-naphthalen-1-yl-N-phenylthiohydroxylamine has a molecular weight of 251.35 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenylthiohydroxylamine is sourced from PubChem (CID 57319297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).