2-propylsulfanyloxane

C8H16OS — CID 15557896

IUPAC2-propylsulfanyloxane
SMILESCCCSC1CCCCO1
InChIInChI=1S/C8H16OS/c1-2-7-10-8-5-3-4-6-9-8/h8H,2-7H2,1H3
InChIKeyFRKYVIKGGMMVRA-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.66
Rot. Bonds3

About 2-propylsulfanyloxane

2-propylsulfanyloxane (PubChem CID 15557896) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-propylsulfanyloxane.

Molecular Properties

Compound Name2-propylsulfanyloxane
PubChem CID15557896
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-propylsulfanyloxane
SMILESCCCSC1CCCCO1
InChIInChI=1S/C8H16OS/c1-2-7-10-8-5-3-4-6-9-8/h8H,2-7H2,1H3
InChIKeyFRKYVIKGGMMVRA-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propylsulfanyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyloxane?
The IUPAC name of 2-propylsulfanyloxane (CID 15557896) is 2-propylsulfanyloxane.
What is the SMILES notation for 2-propylsulfanyloxane?
The canonical SMILES for 2-propylsulfanyloxane is CCCSC1CCCCO1.
What is the InChIKey of 2-propylsulfanyloxane?
The InChIKey is FRKYVIKGGMMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-7-10-8-5-3-4-6-9-8/h8H,2-7H2,1H3.
What are the key properties of 2-propylsulfanyloxane?
2-propylsulfanyloxane has a molecular weight of 160.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyloxane is sourced from PubChem (CID 15557896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).