2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid

C14H10Cl2O2S — CID 12957639

IUPAC2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2S/c15-10-1-4-12(5-2-10)19-13-6-3-11(16)7-9(13)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyZAXHGQRQMMPYGV-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.77
Rot. Bonds4

About 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid

2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid (PubChem CID 12957639) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
PubChem CID12957639
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2S/c15-10-1-4-12(5-2-10)19-13-6-3-11(16)7-9(13)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyZAXHGQRQMMPYGV-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid (CID 12957639) is 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid is O=C(O)Cc1cc(Cl)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The InChIKey is ZAXHGQRQMMPYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c15-10-1-4-12(5-2-10)19-13-6-3-11(16)7-9(13)8-14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
2-[5-chloro-2-(4-chlorophenyl)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-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 12957639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).