2-(2,4-dichlorophenyl)sulfanylacetic acid

C8H6Cl2O2S — CID 24389

IUPAC2-(2,4-dichlorophenyl)sulfanylacetic acid
SMILESO=C(O)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyMDQZIQPTGRZCOQ-UHFFFAOYSA-N
MW237.11 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,4-dichlorophenyl)sulfanylacetic acid

2-(2,4-dichlorophenyl)sulfanylacetic acid (PubChem CID 24389) has the molecular formula C8H6Cl2O2S and a molecular weight of 237.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanylacetic acid
PubChem CID24389
Molecular FormulaC8H6Cl2O2S
Molecular Weight237.11 g/mol
Exact Mass235.95
IUPAC Name2-(2,4-dichlorophenyl)sulfanylacetic acid
SMILESO=C(O)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyMDQZIQPTGRZCOQ-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-2-(2-chloro-4-ethylsulfanylphenyl)sulfanylphenyl]sulfanylacetic acid
CID 143165925
3-(2,4-dichlorophenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 22681630
2-(7-chloro-1-oxidoquinolin-1-ium-4-yl)sulfanylacetic acid
CID 121222752
5-[(2,4-dichlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992418
2-[2-chloro-4-[(2S,3S)-4-(3-chlorophenyl)-2,3-dimethylpiperazine-1-carbonyl]phenyl]sulfanylacetic acid
CID 156760375
2-[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]acetic acid
CID 90231632
2-[2-(2,4-dichlorophenyl)ethylsulfanyl]acetic acid
CID 28813945
[(2,4-dichlorophenyl)disulfanyl]carbamic acid
CID 88842304
4-[2-(2,4-dichlorophenyl)sulfanylethoxy]benzoic acid
CID 20991767
3-[(2,4-dichlorophenyl)sulfanylmethyl]-2-methylbenzoic acid
CID 176888132
2-[1-(2,4-dichlorophenyl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64863955
2,4-dichloro-1-prop-2-enylsulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanylacetic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanylacetic acid (CID 24389) is 2-(2,4-dichlorophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanylacetic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanylacetic acid is O=C(O)CSc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanylacetic acid?
The InChIKey is MDQZIQPTGRZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(2,4-dichlorophenyl)sulfanylacetic acid?
2-(2,4-dichlorophenyl)sulfanylacetic acid has a molecular weight of 237.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanylacetic acid is sourced from PubChem (CID 24389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).