1-diazoniosulfanylnaphthalene

C10H7N2S+ — CID 172863183

IUPAC1-diazoniosulfanylnaphthalene
SMILESN#[N+]Sc1cccc2ccccc12
InChIInChI=1S/C10H7N2S/c11-12-13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/q+1
InChIKeyDPGRSNAZFDDRDR-UHFFFAOYSA-N
MW187.25 g/mol
LogP3.70
Rot. Bonds1

About 1-diazoniosulfanylnaphthalene

1-diazoniosulfanylnaphthalene (PubChem CID 172863183) has the molecular formula C10H7N2S+ and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-diazoniosulfanylnaphthalene.

Molecular Properties

Compound Name1-diazoniosulfanylnaphthalene
PubChem CID172863183
Molecular FormulaC10H7N2S+
Molecular Weight187.25 g/mol
Exact Mass187.03
IUPAC Name1-diazoniosulfanylnaphthalene
SMILESN#[N+]Sc1cccc2ccccc12
InChIInChI=1S/C10H7N2S/c11-12-13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/q+1
InChIKeyDPGRSNAZFDDRDR-UHFFFAOYSA-N
XLogP3.70
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-naphthalen-1-ylsulfanylbenzene-1,2-diol
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1-butan-2-ylsulfanylnaphthalene
CID 46892889
N'-naphthalen-1-ylsulfanylmethanediamine
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2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
CID 57475542
naphthalen-1-ylsulfanyl chlorate
CID 170558441
2-[naphthalen-1-ylsulfanyl(sulfanyl)methylidene]propanedinitrile
CID 134966449
CID 102208465
CID 102208465
(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
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3-naphthalen-1-ylsulfanylphenol
CID 126704011

Frequently Asked Questions

What is the IUPAC name of 1-diazoniosulfanylnaphthalene?
The IUPAC name of 1-diazoniosulfanylnaphthalene (CID 172863183) is 1-diazoniosulfanylnaphthalene.
What is the SMILES notation for 1-diazoniosulfanylnaphthalene?
The canonical SMILES for 1-diazoniosulfanylnaphthalene is N#[N+]Sc1cccc2ccccc12.
What is the InChIKey of 1-diazoniosulfanylnaphthalene?
The InChIKey is DPGRSNAZFDDRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2S/c11-12-13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/q+1.
What are the key properties of 1-diazoniosulfanylnaphthalene?
1-diazoniosulfanylnaphthalene has a molecular weight of 187.25 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoniosulfanylnaphthalene is sourced from PubChem (CID 172863183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).