2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid

C9H8Cl2O3S — CID 60982109

IUPAC2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-7-2-1-6(8(11)3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyMATNZNRTGFLNFH-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.33
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid

2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid (PubChem CID 60982109) has the molecular formula C9H8Cl2O3S and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
PubChem CID60982109
Molecular FormulaC9H8Cl2O3S
Molecular Weight267.13 g/mol
Exact Mass265.96
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-7-2-1-6(8(11)3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyMATNZNRTGFLNFH-UHFFFAOYSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
CID 103049315
2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
CID 60983231
4-[(2,4-dichlorophenyl)methylsulfinylmethyl]benzoic acid
CID 123106904
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
3-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 66112809
2-[4-[(2,4-dichlorophenyl)methylsulfinyl]phenyl]acetic acid
CID 64929177
5-[(2,4-dichlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122705
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
CID 5102061
2-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 105355502
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
CID 81196456
2-[(4-carbamoyl-2-fluorophenyl)methylsulfinyl]acetic acid
CID 60982846

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid (CID 60982109) is 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid is O=C(O)CS(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid?
The InChIKey is MATNZNRTGFLNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3S/c10-7-2-1-6(8(11)3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid?
2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid has a molecular weight of 267.13 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid is sourced from PubChem (CID 60982109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).