1,1'-biphenyl;sulfanylidenephosphanium

C12H12PS+ — CID 161040824

IUPAC1,1'-biphenyl;sulfanylidenephosphanium
SMILES[PH2+]=S.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HPS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;1H/p+1
InChIKeyGGGHVWMUHNZXAX-UHFFFAOYSA-O
MW219.27 g/mol
LogP3.68
Rot. Bonds1

About 1,1'-biphenyl;sulfanylidenephosphanium

1,1'-biphenyl;sulfanylidenephosphanium (PubChem CID 161040824) has the molecular formula C12H12PS+ and a molecular weight of 219.27 g/mol. Its IUPAC name is 1,1'-biphenyl;sulfanylidenephosphanium.

Molecular Properties

Compound Name1,1'-biphenyl;sulfanylidenephosphanium
PubChem CID161040824
Molecular FormulaC12H12PS+
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name1,1'-biphenyl;sulfanylidenephosphanium
SMILES[PH2+]=S.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HPS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;1H/p+1
InChIKeyGGGHVWMUHNZXAX-UHFFFAOYSA-O
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;sulfanylidenephosphanium?
The IUPAC name of 1,1'-biphenyl;sulfanylidenephosphanium (CID 161040824) is 1,1'-biphenyl;sulfanylidenephosphanium.
What is the SMILES notation for 1,1'-biphenyl;sulfanylidenephosphanium?
The canonical SMILES for 1,1'-biphenyl;sulfanylidenephosphanium is [PH2+]=S.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;sulfanylidenephosphanium?
The InChIKey is GGGHVWMUHNZXAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10.HPS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;1H/p+1.
What are the key properties of 1,1'-biphenyl;sulfanylidenephosphanium?
1,1'-biphenyl;sulfanylidenephosphanium has a molecular weight of 219.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;sulfanylidenephosphanium is sourced from PubChem (CID 161040824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).