(4-fluorophenyl)sulfanyl selenocyanate

C7H4FNSSe — CID 162398186

IUPAC(4-fluorophenyl)sulfanyl selenocyanate
SMILESN#C[Se]Sc1ccc(F)cc1
InChIInChI=1S/C7H4FNSSe/c8-6-1-3-7(4-2-6)10-11-5-9/h1-4H
InChIKeyYNLKZERJEBCIHL-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.02
Rot. Bonds2

About (4-fluorophenyl)sulfanyl selenocyanate

(4-fluorophenyl)sulfanyl selenocyanate (PubChem CID 162398186) has the molecular formula C7H4FNSSe and a molecular weight of 232.14 g/mol. Its IUPAC name is (4-fluorophenyl)sulfanyl selenocyanate.

Molecular Properties

Compound Name(4-fluorophenyl)sulfanyl selenocyanate
PubChem CID162398186
Molecular FormulaC7H4FNSSe
Molecular Weight232.14 g/mol
Exact Mass232.92
IUPAC Name(4-fluorophenyl)sulfanyl selenocyanate
SMILESN#C[Se]Sc1ccc(F)cc1
InChIInChI=1S/C7H4FNSSe/c8-6-1-3-7(4-2-6)10-11-5-9/h1-4H
InChIKeyYNLKZERJEBCIHL-UHFFFAOYSA-N
XLogP2.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)sulfanyl selenocyanate?
The IUPAC name of (4-fluorophenyl)sulfanyl selenocyanate (CID 162398186) is (4-fluorophenyl)sulfanyl selenocyanate.
What is the SMILES notation for (4-fluorophenyl)sulfanyl selenocyanate?
The canonical SMILES for (4-fluorophenyl)sulfanyl selenocyanate is N#C[Se]Sc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)sulfanyl selenocyanate?
The InChIKey is YNLKZERJEBCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNSSe/c8-6-1-3-7(4-2-6)10-11-5-9/h1-4H.
What are the key properties of (4-fluorophenyl)sulfanyl selenocyanate?
(4-fluorophenyl)sulfanyl selenocyanate has a molecular weight of 232.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)sulfanyl selenocyanate is sourced from PubChem (CID 162398186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).