butylsulfinylbenzene

C10H14OS — CID 11745267

IUPACbutylsulfinylbenzene
SMILESCCCCS(=O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyIMRHEMHQODDESO-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.59
Rot. Bonds4

About butylsulfinylbenzene

butylsulfinylbenzene (PubChem CID 11745267) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is butylsulfinylbenzene.

Molecular Properties

Compound Namebutylsulfinylbenzene
PubChem CID11745267
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Namebutylsulfinylbenzene
SMILESCCCCS(=O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyIMRHEMHQODDESO-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butylsulfinylbenzene?
The IUPAC name of butylsulfinylbenzene (CID 11745267) is butylsulfinylbenzene.
What is the SMILES notation for butylsulfinylbenzene?
The canonical SMILES for butylsulfinylbenzene is CCCCS(=O)c1ccccc1.
What is the InChIKey of butylsulfinylbenzene?
The InChIKey is IMRHEMHQODDESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of butylsulfinylbenzene?
butylsulfinylbenzene has a molecular weight of 182.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfinylbenzene is sourced from PubChem (CID 11745267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).