4-phenylsulfanyl-2H-triazole;silver

C8H7AgN3S — CID 87874372

IUPAC4-phenylsulfanyl-2H-triazole;silver
SMILES[Ag].c1ccc(Sc2cn[nH]n2)cc1
InChIInChI=1S/C8H7N3S.Ag/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6H,(H,9,10,11);
InChIKeyXYYWIUGRJXCWJC-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.95
Rot. Bonds2

About 4-phenylsulfanyl-2H-triazole;silver

4-phenylsulfanyl-2H-triazole;silver (PubChem CID 87874372) has the molecular formula C8H7AgN3S and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-phenylsulfanyl-2H-triazole;silver.

Molecular Properties

Compound Name4-phenylsulfanyl-2H-triazole;silver
PubChem CID87874372
Molecular FormulaC8H7AgN3S
Molecular Weight285.10 g/mol
Exact Mass283.94
IUPAC Name4-phenylsulfanyl-2H-triazole;silver
SMILES[Ag].c1ccc(Sc2cn[nH]n2)cc1
InChIInChI=1S/C8H7N3S.Ag/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6H,(H,9,10,11);
InChIKeyXYYWIUGRJXCWJC-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-2H-triazole;silver?
The IUPAC name of 4-phenylsulfanyl-2H-triazole;silver (CID 87874372) is 4-phenylsulfanyl-2H-triazole;silver.
What is the SMILES notation for 4-phenylsulfanyl-2H-triazole;silver?
The canonical SMILES for 4-phenylsulfanyl-2H-triazole;silver is [Ag].c1ccc(Sc2cn[nH]n2)cc1.
What is the InChIKey of 4-phenylsulfanyl-2H-triazole;silver?
The InChIKey is XYYWIUGRJXCWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S.Ag/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6H,(H,9,10,11);.
What are the key properties of 4-phenylsulfanyl-2H-triazole;silver?
4-phenylsulfanyl-2H-triazole;silver has a molecular weight of 285.10 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-2H-triazole;silver is sourced from PubChem (CID 87874372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).