benzhydryl(sulfanylidene)phosphanium

C13H12PS+ — CID 154133717

IUPACbenzhydryl(sulfanylidene)phosphanium
SMILESS=[PH+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1
InChIKeyTUCVAZNQKNNDAW-UHFFFAOYSA-O
MW231.28 g/mol
LogP3.92
Rot. Bonds3

About benzhydryl(sulfanylidene)phosphanium

benzhydryl(sulfanylidene)phosphanium (PubChem CID 154133717) has the molecular formula C13H12PS+ and a molecular weight of 231.28 g/mol. Its IUPAC name is benzhydryl(sulfanylidene)phosphanium.

Molecular Properties

Compound Namebenzhydryl(sulfanylidene)phosphanium
PubChem CID154133717
Molecular FormulaC13H12PS+
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Namebenzhydryl(sulfanylidene)phosphanium
SMILESS=[PH+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1
InChIKeyTUCVAZNQKNNDAW-UHFFFAOYSA-O
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 140568629
CID 140568629
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
[phenyl(thiophosphoroso)methyl]benzene
CID 57154658
tris(1-phenylethanethiolate);yttrium(3+)
CID 173343730
cumene
CID 161227923
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
dichloromethylbenzene
CID 7411
benzhydrylalumane
CID 146889225
diphenylmethanolate
CID 57466266
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of benzhydryl(sulfanylidene)phosphanium?
The IUPAC name of benzhydryl(sulfanylidene)phosphanium (CID 154133717) is benzhydryl(sulfanylidene)phosphanium.
What is the SMILES notation for benzhydryl(sulfanylidene)phosphanium?
The canonical SMILES for benzhydryl(sulfanylidene)phosphanium is S=[PH+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl(sulfanylidene)phosphanium?
The InChIKey is TUCVAZNQKNNDAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1.
What are the key properties of benzhydryl(sulfanylidene)phosphanium?
benzhydryl(sulfanylidene)phosphanium has a molecular weight of 231.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl(sulfanylidene)phosphanium is sourced from PubChem (CID 154133717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).