8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one

C20H8O2S4 — CID 101406491

IUPAC8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one
SMILESO=C1c2ccsc2C(=C2c3sccc3C(=O)c3ccsc32)c2sccc21
InChIInChI=1S/C20H8O2S4/c21-15-9-1-5-23-17(9)13(18-10(15)2-6-24-18)14-19-11(3-7-25-19)16(22)12-4-8-26-20(12)14/h1-8H
InChIKeyBBCRKYDYICDKPG-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.03
Rot. Bonds

About 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one

8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one (PubChem CID 101406491) has the molecular formula C20H8O2S4 and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one.

Molecular Properties

Compound Name8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one
PubChem CID101406491
Molecular FormulaC20H8O2S4
Molecular Weight408.55 g/mol
Exact Mass407.94
IUPAC Name8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one
SMILESO=C1c2ccsc2C(=C2c3sccc3C(=O)c3ccsc32)c2sccc21
InChIInChI=1S/C20H8O2S4/c21-15-9-1-5-23-17(9)13(18-10(15)2-6-24-18)14-19-11(3-7-25-19)16(22)12-4-8-26-20(12)14/h1-8H
InChIKeyBBCRKYDYICDKPG-UHFFFAOYSA-N
XLogP6.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one with MolForge

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Related Compounds

ethane;propane;thieno[3,2-f][1]benzothiole-4,8-dione
CID 143843331
5-(hydroxymethylidene)cyclopenta[b]thiophene-4,6-dione
CID 74020651
6-methyl-5-phenylcyclopenta[b]thiophen-4-one
CID 15618706
bis(2-iodothiophen-3-yl)methanone;3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
CID 158145052
6-methyl-5-methylsulfanyl-1-benzothiophene-4,7-dione
CID 71372263
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one;7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-8-one
CID 159278869
sodium 4,8-dioxothieno[3,2-f][1]benzothiole-2-carboxylate
CID 58616961
9-(thiophen-2-ylmethylidene)benzo[f][1]benzothiol-4-one
CID 71424442
7-(methoxymethyl)benzo[f][1]benzothiole-4,9-dione
CID 20717960
2-ethenylthieno[2,3-f][1]benzothiole-4,8-dione
CID 122220116
5,5-dihydroxycyclopenta[b]thiophene-4,6-dione
CID 10910210
4,8,11-trithiatricyclo[8.3.0.03,7]trideca-1(10),3(7),5,12-tetraen-2-one
CID 13133930

Frequently Asked Questions

What is the IUPAC name of 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one?
The IUPAC name of 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one (CID 101406491) is 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one.
What is the SMILES notation for 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one?
The canonical SMILES for 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one is O=C1c2ccsc2C(=C2c3sccc3C(=O)c3ccsc32)c2sccc21.
What is the InChIKey of 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one?
The InChIKey is BBCRKYDYICDKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8O2S4/c21-15-9-1-5-23-17(9)13(18-10(15)2-6-24-18)14-19-11(3-7-25-19)16(22)12-4-8-26-20(12)14/h1-8H.
What are the key properties of 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one?
8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one has a molecular weight of 408.55 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one is sourced from PubChem (CID 101406491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).