2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese

C14H10MnO5S — CID 67782178

IUPAC2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
SMILESO=C(O)c1ccccc1S(=O)c1ccccc1C(=O)O.[Mn]
InChIInChI=1S/C14H10O5S.Mn/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18;/h1-8H,(H,15,16)(H,17,18);
InChIKeyCGKWEORUUGGRCH-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese

2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese (PubChem CID 67782178) has the molecular formula C14H10MnO5S and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese.

Molecular Properties

Compound Name2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
PubChem CID67782178
Molecular FormulaC14H10MnO5S
Molecular Weight345.23 g/mol
Exact Mass344.96
IUPAC Name2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
SMILESO=C(O)c1ccccc1S(=O)c1ccccc1C(=O)O.[Mn]
InChIInChI=1S/C14H10O5S.Mn/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18;/h1-8H,(H,15,16)(H,17,18);
InChIKeyCGKWEORUUGGRCH-UHFFFAOYSA-N
XLogP2.25
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(S)-[2-(acetamidomethyl)phenyl]sulfinyl]benzoic acid
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2-methoxysulfinylbenzoic acid
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2-(2-carboxyphenyl)sulfinylbenzoate;tetrapropylazanium
CID 18948207
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CID 18948060
2-(2-carboxyphenyl)sulfinylbenzoic acid;bis(1-hexadecylpyridin-1-ium)
CID 67781958
2-(2-carboxyphenyl)sulfinylbenzoate;tetrapentylazanium
CID 159793510
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese?
The IUPAC name of 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese (CID 67782178) is 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese.
What is the SMILES notation for 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese?
The canonical SMILES for 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese is O=C(O)c1ccccc1S(=O)c1ccccc1C(=O)O.[Mn].
What is the InChIKey of 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese?
The InChIKey is CGKWEORUUGGRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5S.Mn/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18;/h1-8H,(H,15,16)(H,17,18);.
What are the key properties of 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese?
2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese has a molecular weight of 345.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese is sourced from PubChem (CID 67782178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).