4-chloro-1-methyl-2-methylsulfinylbenzene

C8H9ClOS — CID 140984936

IUPAC4-chloro-1-methyl-2-methylsulfinylbenzene
SMILESCc1ccc(Cl)cc1S(C)=O
InChIInChI=1S/C8H9ClOS/c1-6-3-4-7(9)5-8(6)11(2)10/h3-5H,1-2H3
InChIKeyQWTRPQBHHPUNQF-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.39
Rot. Bonds1

About 4-chloro-1-methyl-2-methylsulfinylbenzene

4-chloro-1-methyl-2-methylsulfinylbenzene (PubChem CID 140984936) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-methylsulfinylbenzene.

Molecular Properties

Compound Name4-chloro-1-methyl-2-methylsulfinylbenzene
PubChem CID140984936
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name4-chloro-1-methyl-2-methylsulfinylbenzene
SMILESCc1ccc(Cl)cc1S(C)=O
InChIInChI=1S/C8H9ClOS/c1-6-3-4-7(9)5-8(6)11(2)10/h3-5H,1-2H3
InChIKeyQWTRPQBHHPUNQF-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-methylsulfinylaniline
CID 79006286
2-bromo-4-chloro-1-methylsulfinylbenzene
CID 132541068
(4-chloro-2-methylsulfinylphenyl)methanamine
CID 68917399
4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
CID 176665813
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
CID 57378758
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
2,5-dichlorobenzenesulfinate
CID 5236909
(5-chloro-2-methylphenyl)-methyl-oxoazanium
CID 91807374
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
CID 57361684
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-methylsulfinylbenzene?
The IUPAC name of 4-chloro-1-methyl-2-methylsulfinylbenzene (CID 140984936) is 4-chloro-1-methyl-2-methylsulfinylbenzene.
What is the SMILES notation for 4-chloro-1-methyl-2-methylsulfinylbenzene?
The canonical SMILES for 4-chloro-1-methyl-2-methylsulfinylbenzene is Cc1ccc(Cl)cc1S(C)=O.
What is the InChIKey of 4-chloro-1-methyl-2-methylsulfinylbenzene?
The InChIKey is QWTRPQBHHPUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-6-3-4-7(9)5-8(6)11(2)10/h3-5H,1-2H3.
What are the key properties of 4-chloro-1-methyl-2-methylsulfinylbenzene?
4-chloro-1-methyl-2-methylsulfinylbenzene has a molecular weight of 188.68 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-methylsulfinylbenzene is sourced from PubChem (CID 140984936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).