(2-benzoyloxyphenyl)sulfanylformic acid

C14H10O4S — CID 88500039

IUPAC(2-benzoyloxyphenyl)sulfanylformic acid
SMILESO=C(O)Sc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C14H10O4S/c15-13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-14(16)17/h1-9H,(H,16,17)
InChIKeyUZHOUQKQLQXVQT-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.68
Rot. Bonds3

About (2-benzoyloxyphenyl)sulfanylformic acid

(2-benzoyloxyphenyl)sulfanylformic acid (PubChem CID 88500039) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is (2-benzoyloxyphenyl)sulfanylformic acid.

Molecular Properties

Compound Name(2-benzoyloxyphenyl)sulfanylformic acid
PubChem CID88500039
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name(2-benzoyloxyphenyl)sulfanylformic acid
SMILESO=C(O)Sc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C14H10O4S/c15-13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-14(16)17/h1-9H,(H,16,17)
InChIKeyUZHOUQKQLQXVQT-UHFFFAOYSA-N
XLogP3.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
[2-[(3-benzoyloxy-2-pyridinyl)disulfanyl]-3-pyridinyl] benzoate
CID 570399
[2-(2,2-dimethylpropanoyloxy)phenyl] benzoate
CID 2320209
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
(2-cyanatophenyl) benzoate
CID 151830190
(2-tert-butylphenyl) benzoate
CID 734595
(2-nitrooxyphenyl) benzoate
CID 151932386
(4-methylsulfanylnaphthalen-1-yl) benzoate
CID 91703997
[2-[(E)-3-oxoprop-1-enyl]phenyl] benzoate
CID 10467367
(2-methanehydrazonoylphenyl) benzoate
CID 141428468
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxyphenyl)sulfanylformic acid?
The IUPAC name of (2-benzoyloxyphenyl)sulfanylformic acid (CID 88500039) is (2-benzoyloxyphenyl)sulfanylformic acid.
What is the SMILES notation for (2-benzoyloxyphenyl)sulfanylformic acid?
The canonical SMILES for (2-benzoyloxyphenyl)sulfanylformic acid is O=C(O)Sc1ccccc1OC(=O)c1ccccc1.
What is the InChIKey of (2-benzoyloxyphenyl)sulfanylformic acid?
The InChIKey is UZHOUQKQLQXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c15-13(10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-14(16)17/h1-9H,(H,16,17).
What are the key properties of (2-benzoyloxyphenyl)sulfanylformic acid?
(2-benzoyloxyphenyl)sulfanylformic acid has a molecular weight of 274.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxyphenyl)sulfanylformic acid is sourced from PubChem (CID 88500039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).