1-methyl-4-propan-2-ylsulfinylbenzene

C10H14OS — CID 564313

IUPAC1-methyl-4-propan-2-ylsulfinylbenzene
SMILESCc1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C10H14OS/c1-8(2)12(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyWNXVEFMOQSAQJV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.51
Rot. Bonds2

About 1-methyl-4-propan-2-ylsulfinylbenzene

1-methyl-4-propan-2-ylsulfinylbenzene (PubChem CID 564313) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylsulfinylbenzene.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylsulfinylbenzene
PubChem CID564313
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-methyl-4-propan-2-ylsulfinylbenzene
SMILESCc1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C10H14OS/c1-8(2)12(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyWNXVEFMOQSAQJV-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-propan-2-ylsulfinylbenzene 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 1-methyl-4-propan-2-ylsulfinylbenzene?
The IUPAC name of 1-methyl-4-propan-2-ylsulfinylbenzene (CID 564313) is 1-methyl-4-propan-2-ylsulfinylbenzene.
What is the SMILES notation for 1-methyl-4-propan-2-ylsulfinylbenzene?
The canonical SMILES for 1-methyl-4-propan-2-ylsulfinylbenzene is Cc1ccc(S(=O)C(C)C)cc1.
What is the InChIKey of 1-methyl-4-propan-2-ylsulfinylbenzene?
The InChIKey is WNXVEFMOQSAQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8(2)12(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylsulfinylbenzene?
1-methyl-4-propan-2-ylsulfinylbenzene has a molecular weight of 182.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylsulfinylbenzene is sourced from PubChem (CID 564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).