sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium

C6H7N9PS+ — CID 88575659

IUPACsulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
SMILESS[P+](n1cncn1)(n1cncn1)n1cncn1
InChIInChI=1S/C6H7N9PS/c17-16(13-4-7-1-10-13,14-5-8-2-11-14)15-6-9-3-12-15/h1-6,17H/q+1
InChIKeyAGNULONZTWICTL-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.01
Rot. Bonds3

About sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium

sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium (PubChem CID 88575659) has the molecular formula C6H7N9PS+ and a molecular weight of 268.23 g/mol. Its IUPAC name is sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium.

Molecular Properties

Compound Namesulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
PubChem CID88575659
Molecular FormulaC6H7N9PS+
Molecular Weight268.23 g/mol
Exact Mass268.03
IUPAC Namesulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
SMILESS[P+](n1cncn1)(n1cncn1)n1cncn1
InChIInChI=1S/C6H7N9PS/c17-16(13-4-7-1-10-13,14-5-8-2-11-14)15-6-9-3-12-15/h1-6,17H/q+1
InChIKeyAGNULONZTWICTL-UHFFFAOYSA-N
XLogP0.01
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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(1,2,4-triazol-1-yl)phosphanium?
The IUPAC name of sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium (CID 88575659) is sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium.
What is the SMILES notation for sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium?
The canonical SMILES for sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium is S[P+](n1cncn1)(n1cncn1)n1cncn1.
What is the InChIKey of sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium?
The InChIKey is AGNULONZTWICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N9PS/c17-16(13-4-7-1-10-13,14-5-8-2-11-14)15-6-9-3-12-15/h1-6,17H/q+1.
What are the key properties of sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium?
sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium has a molecular weight of 268.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium is sourced from PubChem (CID 88575659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).