4-phenylsulfanylbenzenediazonium

C12H9N2S+ — CID 13270664

IUPAC4-phenylsulfanylbenzenediazonium
SMILESN#[N+]c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H9N2S/c13-14-10-6-8-12(9-7-10)15-11-4-2-1-3-5-11/h1-9H/q+1
InChIKeyXGVCEIOUPRWHCX-UHFFFAOYSA-N
MW213.28 g/mol
LogP4.32
Rot. Bonds2

About 4-phenylsulfanylbenzenediazonium

4-phenylsulfanylbenzenediazonium (PubChem CID 13270664) has the molecular formula C12H9N2S+ and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-phenylsulfanylbenzenediazonium.

Molecular Properties

Compound Name4-phenylsulfanylbenzenediazonium
PubChem CID13270664
Molecular FormulaC12H9N2S+
Molecular Weight213.28 g/mol
Exact Mass213.05
IUPAC Name4-phenylsulfanylbenzenediazonium
SMILESN#[N+]c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H9N2S/c13-14-10-6-8-12(9-7-10)15-11-4-2-1-3-5-11/h1-9H/q+1
InChIKeyXGVCEIOUPRWHCX-UHFFFAOYSA-N
XLogP4.32
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanylbenzenediazonium?
The IUPAC name of 4-phenylsulfanylbenzenediazonium (CID 13270664) is 4-phenylsulfanylbenzenediazonium.
What is the SMILES notation for 4-phenylsulfanylbenzenediazonium?
The canonical SMILES for 4-phenylsulfanylbenzenediazonium is N#[N+]c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 4-phenylsulfanylbenzenediazonium?
The InChIKey is XGVCEIOUPRWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2S/c13-14-10-6-8-12(9-7-10)15-11-4-2-1-3-5-11/h1-9H/q+1.
What are the key properties of 4-phenylsulfanylbenzenediazonium?
4-phenylsulfanylbenzenediazonium has a molecular weight of 213.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanylbenzenediazonium is sourced from PubChem (CID 13270664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).