5-methylthieno[2,3-b]thiochromen-4-one

C12H8OS2 — CID 142807871

IUPAC5-methylthieno[2,3-b]thiochromen-4-one
SMILESCc1cccc2sc3sccc3c(=O)c12
InChIInChI=1S/C12H8OS2/c1-7-3-2-4-9-10(7)11(13)8-5-6-14-12(8)15-9/h2-6H,1H3
InChIKeyKGKFSKIAKXAKRL-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.78
Rot. Bonds

About 5-methylthieno[2,3-b]thiochromen-4-one

5-methylthieno[2,3-b]thiochromen-4-one (PubChem CID 142807871) has the molecular formula C12H8OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-methylthieno[2,3-b]thiochromen-4-one.

Molecular Properties

Compound Name5-methylthieno[2,3-b]thiochromen-4-one
PubChem CID142807871
Molecular FormulaC12H8OS2
Molecular Weight232.33 g/mol
Exact Mass232.00
IUPAC Name5-methylthieno[2,3-b]thiochromen-4-one
SMILESCc1cccc2sc3sccc3c(=O)c12
InChIInChI=1S/C12H8OS2/c1-7-3-2-4-9-10(7)11(13)8-5-6-14-12(8)15-9/h2-6H,1H3
InChIKeyKGKFSKIAKXAKRL-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methylthieno[2,3-b]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

1-methyldibenzothiophene
CID 23839
8-iodo-1-methyldibenzothiophene
CID 149218010
3-chloro-2,4-dimethyl-1-benzothiophene;ethane
CID 143520176
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
CID 67340695
4,5-dimethylthioxanthen-9-one
CID 10800095
3-hydroxy-1-methylthioxanthen-9-one
CID 56688041
3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695
1-(9-oxothioxanthen-1-yl)sulfinylthioxanthen-9-one
CID 69121433
2,8-dimethylthieno[3,2-b][1]benzothiole
CID 155307998
5-hydroxy-16-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4(9),5,7,15,17,19-octaene-3,10,14,21-tetrone
CID 122658770
2-(6-methyldibenzothiophen-1-yl)acetaldehyde
CID 13128340
4-methyl-1,2-dihydroindazol-3-one
CID 24728231

Frequently Asked Questions

What is the IUPAC name of 5-methylthieno[2,3-b]thiochromen-4-one?
The IUPAC name of 5-methylthieno[2,3-b]thiochromen-4-one (CID 142807871) is 5-methylthieno[2,3-b]thiochromen-4-one.
What is the SMILES notation for 5-methylthieno[2,3-b]thiochromen-4-one?
The canonical SMILES for 5-methylthieno[2,3-b]thiochromen-4-one is Cc1cccc2sc3sccc3c(=O)c12.
What is the InChIKey of 5-methylthieno[2,3-b]thiochromen-4-one?
The InChIKey is KGKFSKIAKXAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS2/c1-7-3-2-4-9-10(7)11(13)8-5-6-14-12(8)15-9/h2-6H,1H3.
What are the key properties of 5-methylthieno[2,3-b]thiochromen-4-one?
5-methylthieno[2,3-b]thiochromen-4-one has a molecular weight of 232.33 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthieno[2,3-b]thiochromen-4-one is sourced from PubChem (CID 142807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).