anilinosulfanyl(sulfanylidene)phosphanium

C6H7NPS2+ — CID 149253070

IUPACanilinosulfanyl(sulfanylidene)phosphanium
SMILESS=[PH+]SNc1ccccc1
InChIInChI=1S/C6H6NPS2/c9-8-10-7-6-4-2-1-3-5-6/h1-5,7H/p+1
InChIKeyQCFVZFOYOJMQTJ-UHFFFAOYSA-O
MW188.24 g/mol
LogP2.80
Rot. Bonds3

About anilinosulfanyl(sulfanylidene)phosphanium

anilinosulfanyl(sulfanylidene)phosphanium (PubChem CID 149253070) has the molecular formula C6H7NPS2+ and a molecular weight of 188.24 g/mol. Its IUPAC name is anilinosulfanyl(sulfanylidene)phosphanium.

Molecular Properties

Compound Nameanilinosulfanyl(sulfanylidene)phosphanium
PubChem CID149253070
Molecular FormulaC6H7NPS2+
Molecular Weight188.24 g/mol
Exact Mass187.98
IUPAC Nameanilinosulfanyl(sulfanylidene)phosphanium
SMILESS=[PH+]SNc1ccccc1
InChIInChI=1S/C6H6NPS2/c9-8-10-7-6-4-2-1-3-5-6/h1-5,7H/p+1
InChIKeyQCFVZFOYOJMQTJ-UHFFFAOYSA-O
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anilinosulfanyl(sulfanylidene)phosphanium?
The IUPAC name of anilinosulfanyl(sulfanylidene)phosphanium (CID 149253070) is anilinosulfanyl(sulfanylidene)phosphanium.
What is the SMILES notation for anilinosulfanyl(sulfanylidene)phosphanium?
The canonical SMILES for anilinosulfanyl(sulfanylidene)phosphanium is S=[PH+]SNc1ccccc1.
What is the InChIKey of anilinosulfanyl(sulfanylidene)phosphanium?
The InChIKey is QCFVZFOYOJMQTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6NPS2/c9-8-10-7-6-4-2-1-3-5-6/h1-5,7H/p+1.
What are the key properties of anilinosulfanyl(sulfanylidene)phosphanium?
anilinosulfanyl(sulfanylidene)phosphanium has a molecular weight of 188.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilinosulfanyl(sulfanylidene)phosphanium is sourced from PubChem (CID 149253070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).