benzenediazonium;sulfane

C6H7N2S+ — CID 172792880

IUPACbenzenediazonium;sulfane
SMILESN#[N+]c1ccccc1.S
InChIInChI=1S/C6H5N2.H2S/c7-8-6-4-2-1-3-5-6;/h1-5H;1H2/q+1;
InChIKeyPUTIIVUZCFMHNP-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.28
Rot. Bonds

About benzenediazonium;sulfane

benzenediazonium;sulfane (PubChem CID 172792880) has the molecular formula C6H7N2S+ and a molecular weight of 139.20 g/mol. Its IUPAC name is benzenediazonium;sulfane.

Molecular Properties

Compound Namebenzenediazonium;sulfane
PubChem CID172792880
Molecular FormulaC6H7N2S+
Molecular Weight139.20 g/mol
Exact Mass139.03
IUPAC Namebenzenediazonium;sulfane
SMILESN#[N+]c1ccccc1.S
InChIInChI=1S/C6H5N2.H2S/c7-8-6-4-2-1-3-5-6;/h1-5H;1H2/q+1;
InChIKeyPUTIIVUZCFMHNP-UHFFFAOYSA-N
XLogP2.28
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzenediazonium;sulfane?
The IUPAC name of benzenediazonium;sulfane (CID 172792880) is benzenediazonium;sulfane.
What is the SMILES notation for benzenediazonium;sulfane?
The canonical SMILES for benzenediazonium;sulfane is N#[N+]c1ccccc1.S.
What is the InChIKey of benzenediazonium;sulfane?
The InChIKey is PUTIIVUZCFMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2.H2S/c7-8-6-4-2-1-3-5-6;/h1-5H;1H2/q+1;.
What are the key properties of benzenediazonium;sulfane?
benzenediazonium;sulfane has a molecular weight of 139.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium;sulfane is sourced from PubChem (CID 172792880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).