2-phenylselanyl-1,3-thiazole

C9H7NSSe — CID 71813112

IUPAC2-phenylselanyl-1,3-thiazole
SMILESc1ccc([Se]c2nccs2)cc1
InChIInChI=1S/C9H7NSSe/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H
InChIKeyOXMQNPMRHUOJLN-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.80
Rot. Bonds2

About 2-phenylselanyl-1,3-thiazole

2-phenylselanyl-1,3-thiazole (PubChem CID 71813112) has the molecular formula C9H7NSSe and a molecular weight of 240.19 g/mol. Its IUPAC name is 2-phenylselanyl-1,3-thiazole.

Molecular Properties

Compound Name2-phenylselanyl-1,3-thiazole
PubChem CID71813112
Molecular FormulaC9H7NSSe
Molecular Weight240.19 g/mol
Exact Mass240.95
IUPAC Name2-phenylselanyl-1,3-thiazole
SMILESc1ccc([Se]c2nccs2)cc1
InChIInChI=1S/C9H7NSSe/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H
InChIKeyOXMQNPMRHUOJLN-UHFFFAOYSA-N
XLogP0.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.80
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 2-phenylselanyl-1,3-thiazole?
The IUPAC name of 2-phenylselanyl-1,3-thiazole (CID 71813112) is 2-phenylselanyl-1,3-thiazole.
What is the SMILES notation for 2-phenylselanyl-1,3-thiazole?
The canonical SMILES for 2-phenylselanyl-1,3-thiazole is c1ccc([Se]c2nccs2)cc1.
What is the InChIKey of 2-phenylselanyl-1,3-thiazole?
The InChIKey is OXMQNPMRHUOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NSSe/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H.
What are the key properties of 2-phenylselanyl-1,3-thiazole?
2-phenylselanyl-1,3-thiazole has a molecular weight of 240.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyl-1,3-thiazole is sourced from PubChem (CID 71813112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).