ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium

C16H22PS2+ — CID 91207992

IUPACethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium
SMILESCC.CC.S=[P+](c1ccccc1)c1ccc(S)cc1
InChIInChI=1S/C12H9PS2.2C2H6/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;2*1-2/h1-9H;2*1-2H3/p+1
InChIKeyZSICLSLSQLZLFA-UHFFFAOYSA-O
MW309.46 g/mol
LogP4.92
Rot. Bonds2

About ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium

ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium (PubChem CID 91207992) has the molecular formula C16H22PS2+ and a molecular weight of 309.46 g/mol. Its IUPAC name is ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium.

Molecular Properties

Compound Nameethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium
PubChem CID91207992
Molecular FormulaC16H22PS2+
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Nameethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium
SMILESCC.CC.S=[P+](c1ccccc1)c1ccc(S)cc1
InChIInChI=1S/C12H9PS2.2C2H6/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;2*1-2/h1-9H;2*1-2H3/p+1
InChIKeyZSICLSLSQLZLFA-UHFFFAOYSA-O
XLogP4.92
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium?
The IUPAC name of ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium (CID 91207992) is ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium.
What is the SMILES notation for ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium?
The canonical SMILES for ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium is CC.CC.S=[P+](c1ccccc1)c1ccc(S)cc1.
What is the InChIKey of ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium?
The InChIKey is ZSICLSLSQLZLFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9PS2.2C2H6/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;2*1-2/h1-9H;2*1-2H3/p+1.
What are the key properties of ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium?
ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium has a molecular weight of 309.46 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl-sulfanylidene-(4-sulfanylphenyl)phosphanium is sourced from PubChem (CID 91207992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).