sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium

C9H16PS7+ — CID 87267405

IUPACsulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
SMILESS[P+](SC1CSC1)(SC1CSC1)SC1CSC1
InChIInChI=1S/C9H16PS7/c11-10(15-7-1-12-2-7,16-8-3-13-4-8)17-9-5-14-6-9/h7-9,11H,1-6H2/q+1
InChIKeyORUOHVFUDVGLGY-UHFFFAOYSA-N
MW379.67 g/mol
LogP5.14
Rot. Bonds6

About sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium

sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium (PubChem CID 87267405) has the molecular formula C9H16PS7+ and a molecular weight of 379.67 g/mol. Its IUPAC name is sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium.

Molecular Properties

Compound Namesulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
PubChem CID87267405
Molecular FormulaC9H16PS7+
Molecular Weight379.67 g/mol
Exact Mass378.90
IUPAC Namesulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
SMILESS[P+](SC1CSC1)(SC1CSC1)SC1CSC1
InChIInChI=1S/C9H16PS7/c11-10(15-7-1-12-2-7,16-8-3-13-4-8)17-9-5-14-6-9/h7-9,11H,1-6H2/q+1
InChIKeyORUOHVFUDVGLGY-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium?
The IUPAC name of sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium (CID 87267405) is sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium.
What is the SMILES notation for sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium?
The canonical SMILES for sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium is S[P+](SC1CSC1)(SC1CSC1)SC1CSC1.
What is the InChIKey of sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium?
The InChIKey is ORUOHVFUDVGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16PS7/c11-10(15-7-1-12-2-7,16-8-3-13-4-8)17-9-5-14-6-9/h7-9,11H,1-6H2/q+1.
What are the key properties of sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium?
sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium has a molecular weight of 379.67 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium is sourced from PubChem (CID 87267405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).