1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one

C19H12O3S — CID 155529320

IUPAC1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)c2c1ccc1ccccc21
InChIInChI=1S/C19H12O3S/c20-17-12-18(14-7-2-1-3-8-14)23(21,22)19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyZQDVSNDMKQZBKC-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.85
Rot. Bonds1

About 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one

1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one (PubChem CID 155529320) has the molecular formula C19H12O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one.

Molecular Properties

Compound Name1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one
PubChem CID155529320
Molecular FormulaC19H12O3S
Molecular Weight320.37 g/mol
Exact Mass320.05
IUPAC Name1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)c2c1ccc1ccccc21
InChIInChI=1S/C19H12O3S/c20-17-12-18(14-7-2-1-3-8-14)23(21,22)19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyZQDVSNDMKQZBKC-UHFFFAOYSA-N
XLogP3.85
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphtho[1,2-b][1]benzothiole 11,11-dioxide
CID 13360927
1,2-diphenylnaphthalene
CID 11208267
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1-hydroxyphenanthrene-3,4-dione
CID 14905308
1-bromo-2-phenylnaphthalene
CID 10956972
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
1-(1-phenylnaphthalen-2-yl)pyrrole-2,5-dione
CID 175194524
phenanthrene-1,2-dione;hydrate
CID 175517236
2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
CID 68507510
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one?
The IUPAC name of 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one (CID 155529320) is 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one.
What is the SMILES notation for 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one?
The canonical SMILES for 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one is O=C1C=C(c2ccccc2)S(=O)(=O)c2c1ccc1ccccc21.
What is the InChIKey of 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one?
The InChIKey is ZQDVSNDMKQZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3S/c20-17-12-18(14-7-2-1-3-8-14)23(21,22)19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H.
What are the key properties of 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one?
1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one has a molecular weight of 320.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-phenylbenzo[h]thiochromen-4-one is sourced from PubChem (CID 155529320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).