(2-amino-3-benzoylphenyl) thiohypobromite

C13H10BrNOS — CID 155200120

IUPAC(2-amino-3-benzoylphenyl) thiohypobromite
SMILESNc1c(SBr)cccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10BrNOS/c14-17-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyAJDTZRRLASUSDG-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.90
Rot. Bonds3

About (2-amino-3-benzoylphenyl) thiohypobromite

(2-amino-3-benzoylphenyl) thiohypobromite (PubChem CID 155200120) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is (2-amino-3-benzoylphenyl) thiohypobromite.

Molecular Properties

Compound Name(2-amino-3-benzoylphenyl) thiohypobromite
PubChem CID155200120
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name(2-amino-3-benzoylphenyl) thiohypobromite
SMILESNc1c(SBr)cccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10BrNOS/c14-17-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyAJDTZRRLASUSDG-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
amino 2-benzoylbenzoate
CID 19737509
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
aminooxy-(2,6-dibenzoylphenyl)borinic acid
CID 68783876
(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
CID 90217028
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-benzoylphenyl) thiohypobromite?
The IUPAC name of (2-amino-3-benzoylphenyl) thiohypobromite (CID 155200120) is (2-amino-3-benzoylphenyl) thiohypobromite.
What is the SMILES notation for (2-amino-3-benzoylphenyl) thiohypobromite?
The canonical SMILES for (2-amino-3-benzoylphenyl) thiohypobromite is Nc1c(SBr)cccc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3-benzoylphenyl) thiohypobromite?
The InChIKey is AJDTZRRLASUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-17-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8H,15H2.
What are the key properties of (2-amino-3-benzoylphenyl) thiohypobromite?
(2-amino-3-benzoylphenyl) thiohypobromite has a molecular weight of 308.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-benzoylphenyl) thiohypobromite is sourced from PubChem (CID 155200120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).