4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid

C20H14O8S2 — CID 70563110

IUPAC4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1.O=C(O)c1ccc(Sc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10O4S.C6H4O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H,(H,15,16)(H,17,18);1-2H,(H,7,8)(H,9,10)
InChIKeyUFAKVCLPOYAPAI-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.38
Rot. Bonds6

About 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid

4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid (PubChem CID 70563110) has the molecular formula C20H14O8S2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid
PubChem CID70563110
Molecular FormulaC20H14O8S2
Molecular Weight446.46 g/mol
Exact Mass446.01
IUPAC Name4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1.O=C(O)c1ccc(Sc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10O4S.C6H4O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H,(H,15,16)(H,17,18);1-2H,(H,7,8)(H,9,10)
InChIKeyUFAKVCLPOYAPAI-UHFFFAOYSA-N
XLogP4.38
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-carboxyphenyl)sulfanylbenzoic acid;bis(tetraethylazanium)
CID 67856181
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
4-(3,4-dibromophenyl)sulfanylbenzoic acid
CID 91877321
terephthalic acid
CID 160582437
5-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 21162525
4-chlorosulfanylbenzoic acid
CID 22560980
4-pyridin-3-ylsulfanylbenzoic acid
CID 67179275
4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
CID 71406990
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
bismuthane;terephthalic acid
CID 173299583

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid?
The IUPAC name of 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid (CID 70563110) is 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid?
The canonical SMILES for 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)s1.O=C(O)c1ccc(Sc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid?
The InChIKey is UFAKVCLPOYAPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S.C6H4O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H,(H,15,16)(H,17,18);1-2H,(H,7,8)(H,9,10).
What are the key properties of 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid?
4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid has a molecular weight of 446.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 70563110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).