2-methylselanyl-5-methylsulfanylthiophene

C6H8S2Se — CID 614278

IUPAC2-methylselanyl-5-methylsulfanylthiophene
SMILESCSc1ccc([Se]C)s1
InChIInChI=1S/C6H8S2Se/c1-7-5-3-4-6(8-5)9-2/h3-4H,1-2H3
InChIKeyQKABOQSJNBJEMI-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.85
Rot. Bonds2

About 2-methylselanyl-5-methylsulfanylthiophene

2-methylselanyl-5-methylsulfanylthiophene (PubChem CID 614278) has the molecular formula C6H8S2Se and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-methylselanyl-5-methylsulfanylthiophene.

Molecular Properties

Compound Name2-methylselanyl-5-methylsulfanylthiophene
PubChem CID614278
Molecular FormulaC6H8S2Se
Molecular Weight223.22 g/mol
Exact Mass223.92
IUPAC Name2-methylselanyl-5-methylsulfanylthiophene
SMILESCSc1ccc([Se]C)s1
InChIInChI=1S/C6H8S2Se/c1-7-5-3-4-6(8-5)9-2/h3-4H,1-2H3
InChIKeyQKABOQSJNBJEMI-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.85
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-methylselanyl-5-methylsulfanylthiophene?
The IUPAC name of 2-methylselanyl-5-methylsulfanylthiophene (CID 614278) is 2-methylselanyl-5-methylsulfanylthiophene.
What is the SMILES notation for 2-methylselanyl-5-methylsulfanylthiophene?
The canonical SMILES for 2-methylselanyl-5-methylsulfanylthiophene is CSc1ccc([Se]C)s1.
What is the InChIKey of 2-methylselanyl-5-methylsulfanylthiophene?
The InChIKey is QKABOQSJNBJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2Se/c1-7-5-3-4-6(8-5)9-2/h3-4H,1-2H3.
What are the key properties of 2-methylselanyl-5-methylsulfanylthiophene?
2-methylselanyl-5-methylsulfanylthiophene has a molecular weight of 223.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanyl-5-methylsulfanylthiophene is sourced from PubChem (CID 614278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).