2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid

C14H10Cl2O2S — CID 12742097

IUPAC2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O2S/c15-10-5-3-7-12(14(10)16)19-11-6-2-1-4-9(11)8-13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyIAKGSRZFJLWKHC-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.77
Rot. Bonds4

About 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid

2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid (PubChem CID 12742097) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
PubChem CID12742097
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O2S/c15-10-5-3-7-12(14(10)16)19-11-6-2-1-4-9(11)8-13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyIAKGSRZFJLWKHC-UHFFFAOYSA-N
XLogP4.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 13066690
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
CID 23967352
2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid
CID 22685265
2-[3-(benzenesulfonyl)-2-chlorophenyl]acetic acid
CID 68880717
2-[2-[2-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid
CID 70579669
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid (CID 12742097) is 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid is O=C(O)Cc1ccccc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid?
The InChIKey is IAKGSRZFJLWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c15-10-5-3-7-12(14(10)16)19-11-6-2-1-4-9(11)8-13(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid?
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid has a molecular weight of 313.21 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 12742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).