diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium

C14H19N3PS+ — CID 6338137

IUPACdiethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium
SMILESCCN(CC)[P+](=S)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H19N3PS/c1-4-16(5-2)18(19)14-8-6-13(7-9-14)17-11-10-15-12(17)3/h6-11H,4-5H2,1-3H3/q+1
InChIKeyNSKDUFXNZFHLBW-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.01
Rot. Bonds5

About diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium

diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium (PubChem CID 6338137) has the molecular formula C14H19N3PS+ and a molecular weight of 292.37 g/mol. Its IUPAC name is diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium.

Molecular Properties

Compound Namediethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium
PubChem CID6338137
Molecular FormulaC14H19N3PS+
Molecular Weight292.37 g/mol
Exact Mass292.10
IUPAC Namediethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium
SMILESCCN(CC)[P+](=S)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H19N3PS/c1-4-16(5-2)18(19)14-8-6-13(7-9-14)17-11-10-15-12(17)3/h6-11H,4-5H2,1-3H3/q+1
InChIKeyNSKDUFXNZFHLBW-UHFFFAOYSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium?
The IUPAC name of diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium (CID 6338137) is diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium.
What is the SMILES notation for diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium?
The canonical SMILES for diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium is CCN(CC)[P+](=S)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium?
The InChIKey is NSKDUFXNZFHLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3PS/c1-4-16(5-2)18(19)14-8-6-13(7-9-14)17-11-10-15-12(17)3/h6-11H,4-5H2,1-3H3/q+1.
What are the key properties of diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium?
diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium has a molecular weight of 292.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium is sourced from PubChem (CID 6338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).