1-propylsulfinylbutane

C7H16OS — CID 564183

IUPAC1-propylsulfinylbutane
SMILESCCCCS(=O)CCC
InChIInChI=1S/C7H16OS/c1-3-5-7-9(8)6-4-2/h3-7H2,1-2H3
InChIKeyUXEUPWBGAVVPSF-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.95
Rot. Bonds5

About 1-propylsulfinylbutane

1-propylsulfinylbutane (PubChem CID 564183) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-propylsulfinylbutane.

Molecular Properties

Compound Name1-propylsulfinylbutane
PubChem CID564183
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-propylsulfinylbutane
SMILESCCCCS(=O)CCC
InChIInChI=1S/C7H16OS/c1-3-5-7-9(8)6-4-2/h3-7H2,1-2H3
InChIKeyUXEUPWBGAVVPSF-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propylsulfinylbutane with MolForge

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

Launch Full Analysis

Related Compounds

Dibutyl sulfone
CID 69014
Diethyl sulfoxide
CID 6263
Isopentyl sulfoxide
CID 24407
Dibutyl sulfoxide
CID 16568
Hexyl sulfoxide
CID 16593
Isobutyl sulfoxide
CID 18328
1,1'-Sulfinylbis(propane)
CID 20252
Pentyl sulfoxide
CID 74806
Isopropyl sulfoxide
CID 16645
Heptyl sulfoxide
CID 91426
tert-Butyl ethyl sulfoxide
CID 141207
Methyl propyl sulfoxide
CID 123336

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinylbutane?
The IUPAC name of 1-propylsulfinylbutane (CID 564183) is 1-propylsulfinylbutane.
What is the SMILES notation for 1-propylsulfinylbutane?
The canonical SMILES for 1-propylsulfinylbutane is CCCCS(=O)CCC.
What is the InChIKey of 1-propylsulfinylbutane?
The InChIKey is UXEUPWBGAVVPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-3-5-7-9(8)6-4-2/h3-7H2,1-2H3.
What are the key properties of 1-propylsulfinylbutane?
1-propylsulfinylbutane has a molecular weight of 148.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinylbutane is sourced from PubChem (CID 564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).