diazonioimino(sulfanylidene)methane

CN3S+ — CID 148549226

IUPACdiazonioimino(sulfanylidene)methane
SMILESN#[N+]N=C=S
InChIInChI=1S/CN3S/c2-4-3-1-5/q+1
InChIKeyPCDPEMVKHMNIST-UHFFFAOYSA-N
MW86.10 g/mol
LogP0.86
Rot. Bonds

About diazonioimino(sulfanylidene)methane

diazonioimino(sulfanylidene)methane (PubChem CID 148549226) has the molecular formula CN3S+ and a molecular weight of 86.10 g/mol. Its IUPAC name is diazonioimino(sulfanylidene)methane.

Molecular Properties

Compound Namediazonioimino(sulfanylidene)methane
PubChem CID148549226
Molecular FormulaCN3S+
Molecular Weight86.10 g/mol
Exact Mass85.98
IUPAC Namediazonioimino(sulfanylidene)methane
SMILESN#[N+]N=C=S
InChIInChI=1S/CN3S/c2-4-3-1-5/q+1
InChIKeyPCDPEMVKHMNIST-UHFFFAOYSA-N
XLogP0.86
TPSA40.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.10
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazonioimino(sulfanylidene)methane?
The IUPAC name of diazonioimino(sulfanylidene)methane (CID 148549226) is diazonioimino(sulfanylidene)methane.
What is the SMILES notation for diazonioimino(sulfanylidene)methane?
The canonical SMILES for diazonioimino(sulfanylidene)methane is N#[N+]N=C=S.
What is the InChIKey of diazonioimino(sulfanylidene)methane?
The InChIKey is PCDPEMVKHMNIST-UHFFFAOYSA-N. The full InChI is InChI=1S/CN3S/c2-4-3-1-5/q+1.
What are the key properties of diazonioimino(sulfanylidene)methane?
diazonioimino(sulfanylidene)methane has a molecular weight of 86.10 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazonioimino(sulfanylidene)methane is sourced from PubChem (CID 148549226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).