2-propylsulfanylbutane

C7H16S — CID 525453

IUPAC2-propylsulfanylbutane
SMILESCCCSC(C)CC
InChIInChI=1S/C7H16S/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKeyZGVPENKHDNEGTK-UHFFFAOYSA-N
MW132.27 g/mol
LogP2.93
Rot. Bonds4

About 2-propylsulfanylbutane

2-propylsulfanylbutane (PubChem CID 525453) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is 2-propylsulfanylbutane.

Molecular Properties

Compound Name2-propylsulfanylbutane
PubChem CID525453
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Name2-propylsulfanylbutane
SMILESCCCSC(C)CC
InChIInChI=1S/C7H16S/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKeyZGVPENKHDNEGTK-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylbutane?
The IUPAC name of 2-propylsulfanylbutane (CID 525453) is 2-propylsulfanylbutane.
What is the SMILES notation for 2-propylsulfanylbutane?
The canonical SMILES for 2-propylsulfanylbutane is CCCSC(C)CC.
What is the InChIKey of 2-propylsulfanylbutane?
The InChIKey is ZGVPENKHDNEGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-propylsulfanylbutane?
2-propylsulfanylbutane has a molecular weight of 132.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylbutane is sourced from PubChem (CID 525453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).