2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate

C12H4Cl4O2S-2 — CID 2407

IUPAC2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
SMILES[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
InChIInChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H/p-2
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-L
MW354.04 g/mol
LogP4.60
Rot. Bonds2

About 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate

2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate (PubChem CID 2407) has the molecular formula C12H4Cl4O2S-2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
PubChem CID2407
Molecular FormulaC12H4Cl4O2S-2
Molecular Weight354.04 g/mol
Exact Mass351.87
IUPAC Name2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
SMILES[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
InChIInChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H/p-2
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-L
XLogP4.60
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate (CID 2407) is 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The canonical SMILES for 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate is [O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-].
What is the InChIKey of 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
The InChIKey is JFIOVJDNOJYLKP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H/p-2.
What are the key properties of 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate?
2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate has a molecular weight of 354.04 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate is sourced from PubChem (CID 2407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).