3-naphthalen-2-ylsulfanylphthalic acid

C18H12O4S — CID 18431433

IUPAC3-naphthalen-2-ylsulfanylphthalic acid
SMILESO=C(O)c1cccc(Sc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C18H12O4S/c19-17(20)14-6-3-7-15(16(14)18(21)22)23-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,19,20)(H,21,22)
InChIKeyGOFRTJTTWGDBSR-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.39
Rot. Bonds4

About 3-naphthalen-2-ylsulfanylphthalic acid

3-naphthalen-2-ylsulfanylphthalic acid (PubChem CID 18431433) has the molecular formula C18H12O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfanylphthalic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfanylphthalic acid
PubChem CID18431433
Molecular FormulaC18H12O4S
Molecular Weight324.36 g/mol
Exact Mass324.05
IUPAC Name3-naphthalen-2-ylsulfanylphthalic acid
SMILESO=C(O)c1cccc(Sc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C18H12O4S/c19-17(20)14-6-3-7-15(16(14)18(21)22)23-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,19,20)(H,21,22)
InChIKeyGOFRTJTTWGDBSR-UHFFFAOYSA-N
XLogP4.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid
CID 21434742
3-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid
CID 21434752
5-bromo-2-naphthalen-2-ylsulfanylbenzoic acid
CID 114896234
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114289004
2-methyl-4-naphthalen-2-ylsulfanylbenzoic acid
CID 81285230
2-acetyl-3-(4-chlorophenyl)sulfanylbenzoic acid
CID 91875777
anthracene;3-phenylphthalic acid
CID 161382372
2-(naphthalen-2-ylsulfanylmethyl)benzoic acid
CID 22683037
naphthalene;phthalic acid
CID 158069637
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
3-naphthalen-2-yloxysulfonylcarbonylphthalic acid
CID 87222893

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfanylphthalic acid?
The IUPAC name of 3-naphthalen-2-ylsulfanylphthalic acid (CID 18431433) is 3-naphthalen-2-ylsulfanylphthalic acid.
What is the SMILES notation for 3-naphthalen-2-ylsulfanylphthalic acid?
The canonical SMILES for 3-naphthalen-2-ylsulfanylphthalic acid is O=C(O)c1cccc(Sc2ccc3ccccc3c2)c1C(=O)O.
What is the InChIKey of 3-naphthalen-2-ylsulfanylphthalic acid?
The InChIKey is GOFRTJTTWGDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4S/c19-17(20)14-6-3-7-15(16(14)18(21)22)23-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 3-naphthalen-2-ylsulfanylphthalic acid?
3-naphthalen-2-ylsulfanylphthalic acid has a molecular weight of 324.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfanylphthalic acid is sourced from PubChem (CID 18431433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).