1-tert-butylsulfanylethaneselone

C6H12SSe — CID 15655216

IUPAC1-tert-butylsulfanylethaneselone
SMILESCC(=[Se])SC(C)(C)C
InChIInChI=1S/C6H12SSe/c1-5(8)7-6(2,3)4/h1-4H3
InChIKeyHHCGHHFNBIZQNY-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.84
Rot. Bonds1

About 1-tert-butylsulfanylethaneselone

1-tert-butylsulfanylethaneselone (PubChem CID 15655216) has the molecular formula C6H12SSe and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-tert-butylsulfanylethaneselone.

Molecular Properties

Compound Name1-tert-butylsulfanylethaneselone
PubChem CID15655216
Molecular FormulaC6H12SSe
Molecular Weight195.19 g/mol
Exact Mass195.98
IUPAC Name1-tert-butylsulfanylethaneselone
SMILESCC(=[Se])SC(C)(C)C
InChIInChI=1S/C6H12SSe/c1-5(8)7-6(2,3)4/h1-4H3
InChIKeyHHCGHHFNBIZQNY-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-tert-butylsulfanylethaneselone?
The IUPAC name of 1-tert-butylsulfanylethaneselone (CID 15655216) is 1-tert-butylsulfanylethaneselone.
What is the SMILES notation for 1-tert-butylsulfanylethaneselone?
The canonical SMILES for 1-tert-butylsulfanylethaneselone is CC(=[Se])SC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanylethaneselone?
The InChIKey is HHCGHHFNBIZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12SSe/c1-5(8)7-6(2,3)4/h1-4H3.
What are the key properties of 1-tert-butylsulfanylethaneselone?
1-tert-butylsulfanylethaneselone has a molecular weight of 195.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylethaneselone is sourced from PubChem (CID 15655216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).