3-methyl-1-pentan-2-ylsulfanylpentane

C11H24S — CID 123198339

IUPAC3-methyl-1-pentan-2-ylsulfanylpentane
SMILESCCCC(C)SCCC(C)CC
InChIInChI=1S/C11H24S/c1-5-7-11(4)12-9-8-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyZCDNCKSWKSNNKS-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.34
Rot. Bonds7

About 3-methyl-1-pentan-2-ylsulfanylpentane

3-methyl-1-pentan-2-ylsulfanylpentane (PubChem CID 123198339) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 3-methyl-1-pentan-2-ylsulfanylpentane.

Molecular Properties

Compound Name3-methyl-1-pentan-2-ylsulfanylpentane
PubChem CID123198339
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name3-methyl-1-pentan-2-ylsulfanylpentane
SMILESCCCC(C)SCCC(C)CC
InChIInChI=1S/C11H24S/c1-5-7-11(4)12-9-8-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyZCDNCKSWKSNNKS-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-2-ylsulfanylpentane?
The IUPAC name of 3-methyl-1-pentan-2-ylsulfanylpentane (CID 123198339) is 3-methyl-1-pentan-2-ylsulfanylpentane.
What is the SMILES notation for 3-methyl-1-pentan-2-ylsulfanylpentane?
The canonical SMILES for 3-methyl-1-pentan-2-ylsulfanylpentane is CCCC(C)SCCC(C)CC.
What is the InChIKey of 3-methyl-1-pentan-2-ylsulfanylpentane?
The InChIKey is ZCDNCKSWKSNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-5-7-11(4)12-9-8-10(3)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-pentan-2-ylsulfanylpentane?
3-methyl-1-pentan-2-ylsulfanylpentane has a molecular weight of 188.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-2-ylsulfanylpentane is sourced from PubChem (CID 123198339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).