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

C12H8OS2 — CID 14920148

IUPAC2-methylthieno[2,3-b]thiochromen-4-one
SMILESCc1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C12H8OS2/c1-7-6-9-11(13)8-4-2-3-5-10(8)15-12(9)14-7/h2-6H,1H3
InChIKeyPKXYSTGTDAQFCP-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.78
Rot. Bonds

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

2-methylthieno[2,3-b]thiochromen-4-one (PubChem CID 14920148) has the molecular formula C12H8OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methylthieno[2,3-b]thiochromen-4-one.

Molecular Properties

Compound Name2-methylthieno[2,3-b]thiochromen-4-one
PubChem CID14920148
Molecular FormulaC12H8OS2
Molecular Weight232.33 g/mol
Exact Mass232.00
IUPAC Name2-methylthieno[2,3-b]thiochromen-4-one
SMILESCc1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C12H8OS2/c1-7-6-9-11(13)8-4-2-3-5-10(8)15-12(9)14-7/h2-6H,1H3
InChIKeyPKXYSTGTDAQFCP-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

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Related Compounds

2-propan-2-ylthieno[2,3-b]thiochromen-4-one
CID 14920150
5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
CID 23543635
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2-iodo-4-methylthioxanthen-9-one
CID 145386741
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
3-bromo-2-methylthiochromen-4-one
CID 119090270
2-tert-butylthioxanthen-9-one
CID 15593710
3,4-dimethylthioxanthen-9-one
CID 13113961
aniline;thioxanthen-9-one
CID 157172339
(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6311758
cerium;2-propan-2-ylthioxanthen-9-one
CID 174919316
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771

Frequently Asked Questions

What is the IUPAC name of 2-methylthieno[2,3-b]thiochromen-4-one?
The IUPAC name of 2-methylthieno[2,3-b]thiochromen-4-one (CID 14920148) is 2-methylthieno[2,3-b]thiochromen-4-one.
What is the SMILES notation for 2-methylthieno[2,3-b]thiochromen-4-one?
The canonical SMILES for 2-methylthieno[2,3-b]thiochromen-4-one is Cc1cc2c(=O)c3ccccc3sc2s1.
What is the InChIKey of 2-methylthieno[2,3-b]thiochromen-4-one?
The InChIKey is PKXYSTGTDAQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS2/c1-7-6-9-11(13)8-4-2-3-5-10(8)15-12(9)14-7/h2-6H,1H3.
What are the key properties of 2-methylthieno[2,3-b]thiochromen-4-one?
2-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 2-methylthieno[2,3-b]thiochromen-4-one is sourced from PubChem (CID 14920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).