propylsulfinylbenzene

C9H12OS — CID 778847

IUPACpropylsulfinylbenzene
SMILESCCCS(=O)c1ccccc1
InChIInChI=1S/C9H12OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyQVRZWGALJMYTDQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.20
Rot. Bonds3

About propylsulfinylbenzene

propylsulfinylbenzene (PubChem CID 778847) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is propylsulfinylbenzene.

Molecular Properties

Compound Namepropylsulfinylbenzene
PubChem CID778847
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Namepropylsulfinylbenzene
SMILESCCCS(=O)c1ccccc1
InChIInChI=1S/C9H12OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyQVRZWGALJMYTDQ-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propylsulfinylbenzene?
The IUPAC name of propylsulfinylbenzene (CID 778847) is propylsulfinylbenzene.
What is the SMILES notation for propylsulfinylbenzene?
The canonical SMILES for propylsulfinylbenzene is CCCS(=O)c1ccccc1.
What is the InChIKey of propylsulfinylbenzene?
The InChIKey is QVRZWGALJMYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of propylsulfinylbenzene?
propylsulfinylbenzene has a molecular weight of 168.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfinylbenzene is sourced from PubChem (CID 778847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).