3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one

C19H10O3S2 — CID 67007318

IUPAC3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
SMILESO=C(c1cc2ccccc2sc1=O)c1cc2ccccc2sc1=O
InChIInChI=1S/C19H10O3S2/c20-17(13-9-11-5-1-3-7-15(11)23-18(13)21)14-10-12-6-2-4-8-16(12)24-19(14)22/h1-10H
InChIKeyLJODHSJEZAATSE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.07
Rot. Bonds2

About 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one

3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one (PubChem CID 67007318) has the molecular formula C19H10O3S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one.

Molecular Properties

Compound Name3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
PubChem CID67007318
Molecular FormulaC19H10O3S2
Molecular Weight350.42 g/mol
Exact Mass350.01
IUPAC Name3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
SMILESO=C(c1cc2ccccc2sc1=O)c1cc2ccccc2sc1=O
InChIInChI=1S/C19H10O3S2/c20-17(13-9-11-5-1-3-7-15(11)23-18(13)21)14-10-12-6-2-4-8-16(12)24-19(14)22/h1-10H
InChIKeyLJODHSJEZAATSE-UHFFFAOYSA-N
XLogP4.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67008060
6-nitro-3-(6-nitro-2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 87235092
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
2-oxothiochromene-3-carbonitrile
CID 102371512
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
3-(4-chlorophenyl)thiochromen-2-one
CID 134101391
tris(1-benzothiophen-2-yl)borane
CID 102216523
CID 175606657
CID 175606657
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The IUPAC name of 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one (CID 67007318) is 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one.
What is the SMILES notation for 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The canonical SMILES for 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one is O=C(c1cc2ccccc2sc1=O)c1cc2ccccc2sc1=O.
What is the InChIKey of 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The InChIKey is LJODHSJEZAATSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O3S2/c20-17(13-9-11-5-1-3-7-15(11)23-18(13)21)14-10-12-6-2-4-8-16(12)24-19(14)22/h1-10H.
What are the key properties of 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one?
3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one has a molecular weight of 350.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one is sourced from PubChem (CID 67007318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).