2-methyl-1-(2-methylpropylsulfanyl)butane

C9H20S — CID 21026484

IUPAC2-methyl-1-(2-methylpropylsulfanyl)butane
SMILESCCC(C)CSCC(C)C
InChIInChI=1S/C9H20S/c1-5-9(4)7-10-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyGSUORCVRERSWAY-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.42
Rot. Bonds5

About 2-methyl-1-(2-methylpropylsulfanyl)butane

2-methyl-1-(2-methylpropylsulfanyl)butane (PubChem CID 21026484) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfanyl)butane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfanyl)butane
PubChem CID21026484
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name2-methyl-1-(2-methylpropylsulfanyl)butane
SMILESCCC(C)CSCC(C)C
InChIInChI=1S/C9H20S/c1-5-9(4)7-10-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyGSUORCVRERSWAY-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfanyl)butane?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfanyl)butane (CID 21026484) is 2-methyl-1-(2-methylpropylsulfanyl)butane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfanyl)butane?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfanyl)butane is CCC(C)CSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfanyl)butane?
The InChIKey is GSUORCVRERSWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-5-9(4)7-10-6-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfanyl)butane?
2-methyl-1-(2-methylpropylsulfanyl)butane has a molecular weight of 160.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfanyl)butane is sourced from PubChem (CID 21026484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).