1-propan-2-ylsulfanylethaneselone

C5H10SSe — CID 134873390

IUPAC1-propan-2-ylsulfanylethaneselone
SMILESCC(=[Se])SC(C)C
InChIInChI=1S/C5H10SSe/c1-4(2)6-5(3)7/h4H,1-3H3
InChIKeyCFZXEJUCMCCAJZ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.45
Rot. Bonds2

About 1-propan-2-ylsulfanylethaneselone

1-propan-2-ylsulfanylethaneselone (PubChem CID 134873390) has the molecular formula C5H10SSe and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-propan-2-ylsulfanylethaneselone.

Molecular Properties

Compound Name1-propan-2-ylsulfanylethaneselone
PubChem CID134873390
Molecular FormulaC5H10SSe
Molecular Weight181.16 g/mol
Exact Mass181.97
IUPAC Name1-propan-2-ylsulfanylethaneselone
SMILESCC(=[Se])SC(C)C
InChIInChI=1S/C5H10SSe/c1-4(2)6-5(3)7/h4H,1-3H3
InChIKeyCFZXEJUCMCCAJZ-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.45
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-propan-2-ylsulfanylethaneselone?
The IUPAC name of 1-propan-2-ylsulfanylethaneselone (CID 134873390) is 1-propan-2-ylsulfanylethaneselone.
What is the SMILES notation for 1-propan-2-ylsulfanylethaneselone?
The canonical SMILES for 1-propan-2-ylsulfanylethaneselone is CC(=[Se])SC(C)C.
What is the InChIKey of 1-propan-2-ylsulfanylethaneselone?
The InChIKey is CFZXEJUCMCCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10SSe/c1-4(2)6-5(3)7/h4H,1-3H3.
What are the key properties of 1-propan-2-ylsulfanylethaneselone?
1-propan-2-ylsulfanylethaneselone has a molecular weight of 181.16 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanylethaneselone is sourced from PubChem (CID 134873390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).