cumene;methylsulfinylbenzene

C16H20OS — CID 143291926

IUPACcumene;methylsulfinylbenzene
SMILESCC(C)c1ccccc1.CS(=O)c1ccccc1
InChIInChI=1S/C9H12.C7H8OS/c1-8(2)9-6-4-3-5-7-9;1-9(8)7-5-3-2-4-6-7/h3-8H,1-2H3;2-6H,1H3
InChIKeyMNLNBASMLKUXOF-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.23
Rot. Bonds2

About cumene;methylsulfinylbenzene

cumene;methylsulfinylbenzene (PubChem CID 143291926) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is cumene;methylsulfinylbenzene.

Molecular Properties

Compound Namecumene;methylsulfinylbenzene
PubChem CID143291926
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Namecumene;methylsulfinylbenzene
SMILESCC(C)c1ccccc1.CS(=O)c1ccccc1
InChIInChI=1S/C9H12.C7H8OS/c1-8(2)9-6-4-3-5-7-9;1-9(8)7-5-3-2-4-6-7/h3-8H,1-2H3;2-6H,1H3
InChIKeyMNLNBASMLKUXOF-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cumene;methylsulfinylbenzene 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

benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029
cumene;methanethiol
CID 170640582
azane;cumene;hydrochloride
CID 175202155
copper;cumene;manganese
CID 175691003

Frequently Asked Questions

What is the IUPAC name of cumene;methylsulfinylbenzene?
The IUPAC name of cumene;methylsulfinylbenzene (CID 143291926) is cumene;methylsulfinylbenzene.
What is the SMILES notation for cumene;methylsulfinylbenzene?
The canonical SMILES for cumene;methylsulfinylbenzene is CC(C)c1ccccc1.CS(=O)c1ccccc1.
What is the InChIKey of cumene;methylsulfinylbenzene?
The InChIKey is MNLNBASMLKUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H8OS/c1-8(2)9-6-4-3-5-7-9;1-9(8)7-5-3-2-4-6-7/h3-8H,1-2H3;2-6H,1H3.
What are the key properties of cumene;methylsulfinylbenzene?
cumene;methylsulfinylbenzene has a molecular weight of 260.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methylsulfinylbenzene is sourced from PubChem (CID 143291926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).