bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane

C16H15N4PS — CID 4247711

IUPACbis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccccc1)c1nccn1C=C
InChIInChI=1S/C16H15N4PS/c1-3-19-12-10-17-15(19)21(22,14-8-6-5-7-9-14)16-18-11-13-20(16)4-2/h3-13H,1-2H2
InChIKeyPKDHVZUCVLFQTA-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.04
Rot. Bonds5

About bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane

bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 4247711) has the molecular formula C16H15N4PS and a molecular weight of 326.37 g/mol. Its IUPAC name is bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane
PubChem CID4247711
Molecular FormulaC16H15N4PS
Molecular Weight326.37 g/mol
Exact Mass326.08
IUPAC Namebis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccccc1)c1nccn1C=C
InChIInChI=1S/C16H15N4PS/c1-3-19-12-10-17-15(19)21(22,14-8-6-5-7-9-14)16-18-11-13-20(16)4-2/h3-13H,1-2H2
InChIKeyPKDHVZUCVLFQTA-UHFFFAOYSA-N
XLogP2.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane (CID 4247711) is bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane is C=Cn1ccnc1P(=S)(c1ccccc1)c1nccn1C=C.
What is the InChIKey of bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is PKDHVZUCVLFQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N4PS/c1-3-19-12-10-17-15(19)21(22,14-8-6-5-7-9-14)16-18-11-13-20(16)4-2/h3-13H,1-2H2.
What are the key properties of bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane?
bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 326.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 4247711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).