2-butan-2-ylsulfanylbutane

C8H18S — CID 522065

IUPAC2-butan-2-ylsulfanylbutane
SMILESCCC(C)SC(C)CC
InChIInChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyIEBAOPMEYUWQPD-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.32
Rot. Bonds4

About 2-butan-2-ylsulfanylbutane

2-butan-2-ylsulfanylbutane (PubChem CID 522065) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylbutane.

Molecular Properties

Compound Name2-butan-2-ylsulfanylbutane
PubChem CID522065
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2-butan-2-ylsulfanylbutane
SMILESCCC(C)SC(C)CC
InChIInChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyIEBAOPMEYUWQPD-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylbutane?
The IUPAC name of 2-butan-2-ylsulfanylbutane (CID 522065) is 2-butan-2-ylsulfanylbutane.
What is the SMILES notation for 2-butan-2-ylsulfanylbutane?
The canonical SMILES for 2-butan-2-ylsulfanylbutane is CCC(C)SC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanylbutane?
The InChIKey is IEBAOPMEYUWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanylbutane?
2-butan-2-ylsulfanylbutane has a molecular weight of 146.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylbutane is sourced from PubChem (CID 522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).