tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane

C15H15N6PS — CID 5010064

IUPACtris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1nccn1C=C)c1nccn1C=C
InChIInChI=1S/C15H15N6PS/c1-4-19-10-7-16-13(19)22(23,14-17-8-11-20(14)5-2)15-18-9-12-21(15)6-3/h4-12H,1-3H2
InChIKeyHVMIKCNTTVYBOT-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.33
Rot. Bonds6

About tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane

tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane (PubChem CID 5010064) has the molecular formula C15H15N6PS and a molecular weight of 342.37 g/mol. Its IUPAC name is tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane
PubChem CID5010064
Molecular FormulaC15H15N6PS
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Nametris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1nccn1C=C)c1nccn1C=C
InChIInChI=1S/C15H15N6PS/c1-4-19-10-7-16-13(19)22(23,14-17-8-11-20(14)5-2)15-18-9-12-21(15)6-3/h4-12H,1-3H2
InChIKeyHVMIKCNTTVYBOT-UHFFFAOYSA-N
XLogP1.33
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane?
The IUPAC name of tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane (CID 5010064) is tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane is C=Cn1ccnc1P(=S)(c1nccn1C=C)c1nccn1C=C.
What is the InChIKey of tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane?
The InChIKey is HVMIKCNTTVYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N6PS/c1-4-19-10-7-16-13(19)22(23,14-17-8-11-20(14)5-2)15-18-9-12-21(15)6-3/h4-12H,1-3H2.
What are the key properties of tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane?
tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane has a molecular weight of 342.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethenylimidazol-2-yl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 5010064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).