2-(2-methylpropylsulfanyl)butane

C8H18S — CID 525384

IUPAC2-(2-methylpropylsulfanyl)butane
SMILESCCC(C)SCC(C)C
InChIInChI=1S/C8H18S/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyZXOHSPNYEDQIBI-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-methylpropylsulfanyl)butane

2-(2-methylpropylsulfanyl)butane (PubChem CID 525384) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)butane.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)butane
PubChem CID525384
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2-(2-methylpropylsulfanyl)butane
SMILESCCC(C)SCC(C)C
InChIInChI=1S/C8H18S/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyZXOHSPNYEDQIBI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)butane?
The IUPAC name of 2-(2-methylpropylsulfanyl)butane (CID 525384) is 2-(2-methylpropylsulfanyl)butane.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)butane?
The canonical SMILES for 2-(2-methylpropylsulfanyl)butane is CCC(C)SCC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanyl)butane?
The InChIKey is ZXOHSPNYEDQIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-methylpropylsulfanyl)butane?
2-(2-methylpropylsulfanyl)butane has a molecular weight of 146.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)butane is sourced from PubChem (CID 525384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).