1-chloro-4-(methylsulfinylmethyl)benzene

C8H9ClOS — CID 12539834

IUPAC1-chloro-4-(methylsulfinylmethyl)benzene
SMILESCS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClOS/c1-11(10)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyOYNKDWZZTONUIY-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.22
Rot. Bonds2

About 1-chloro-4-(methylsulfinylmethyl)benzene

1-chloro-4-(methylsulfinylmethyl)benzene (PubChem CID 12539834) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is 1-chloro-4-(methylsulfinylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(methylsulfinylmethyl)benzene
PubChem CID12539834
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name1-chloro-4-(methylsulfinylmethyl)benzene
SMILESCS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClOS/c1-11(10)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyOYNKDWZZTONUIY-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(methylsulfinylmethyl)benzene?
The IUPAC name of 1-chloro-4-(methylsulfinylmethyl)benzene (CID 12539834) is 1-chloro-4-(methylsulfinylmethyl)benzene.
What is the SMILES notation for 1-chloro-4-(methylsulfinylmethyl)benzene?
The canonical SMILES for 1-chloro-4-(methylsulfinylmethyl)benzene is CS(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(methylsulfinylmethyl)benzene?
The InChIKey is OYNKDWZZTONUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-11(10)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-chloro-4-(methylsulfinylmethyl)benzene?
1-chloro-4-(methylsulfinylmethyl)benzene has a molecular weight of 188.68 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(methylsulfinylmethyl)benzene is sourced from PubChem (CID 12539834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).