3-(methylsulfanylmethyl)pentane

C7H16S — CID 23568671

IUPAC3-(methylsulfanylmethyl)pentane
SMILESCCC(CC)CSC
InChIInChI=1S/C7H16S/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3
InChIKeyBLVDSCSCYNYIKJ-UHFFFAOYSA-N
MW132.27 g/mol
LogP2.79
Rot. Bonds4

About 3-(methylsulfanylmethyl)pentane

3-(methylsulfanylmethyl)pentane (PubChem CID 23568671) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)pentane.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)pentane
PubChem CID23568671
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Name3-(methylsulfanylmethyl)pentane
SMILESCCC(CC)CSC
InChIInChI=1S/C7H16S/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3
InChIKeyBLVDSCSCYNYIKJ-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)pentane?
The IUPAC name of 3-(methylsulfanylmethyl)pentane (CID 23568671) is 3-(methylsulfanylmethyl)pentane.
What is the SMILES notation for 3-(methylsulfanylmethyl)pentane?
The canonical SMILES for 3-(methylsulfanylmethyl)pentane is CCC(CC)CSC.
What is the InChIKey of 3-(methylsulfanylmethyl)pentane?
The InChIKey is BLVDSCSCYNYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(methylsulfanylmethyl)pentane?
3-(methylsulfanylmethyl)pentane has a molecular weight of 132.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)pentane is sourced from PubChem (CID 23568671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).