(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one

C11H8OS3 — CID 125493506

IUPAC(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1C[C@@H](c2cccs2)Sc2sccc21
InChIInChI=1S/C11H8OS3/c12-8-6-10(9-2-1-4-13-9)15-11-7(8)3-5-14-11/h1-5,10H,6H2/t10-/m0/s1
InChIKeyIJMKQOVNWLAADA-JTQLQIEISA-N
MW252.38 g/mol
LogP4.23
Rot. Bonds1

About (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one

(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one (PubChem CID 125493506) has the molecular formula C11H8OS3 and a molecular weight of 252.38 g/mol. Its IUPAC name is (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one.

Molecular Properties

Compound Name(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
PubChem CID125493506
Molecular FormulaC11H8OS3
Molecular Weight252.38 g/mol
Exact Mass251.97
IUPAC Name(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1C[C@@H](c2cccs2)Sc2sccc21
InChIInChI=1S/C11H8OS3/c12-8-6-10(9-2-1-4-13-9)15-11-7(8)3-5-14-11/h1-5,10H,6H2/t10-/m0/s1
InChIKeyIJMKQOVNWLAADA-JTQLQIEISA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
CID 82376670
(3E,6S)-3-(hydroxymethylidene)-2-phenylimino-6-thiophen-2-ylthian-4-one
CID 135538594
5-propanoyl-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 166632205
(5R)-2-phenyl-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 950050
2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
CID 148641519
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
5-thiophen-2-yl-4,5-dihydro-1,2-thiazole
CID 140995680
4,5-dimethyl-2-thiophen-2-yl-3,6-dihydro-2H-thiopyran
CID 14249568
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
3-thiophen-2-yl-3,4-dihydroisochromen-1-one
CID 2752697
1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione
CID 150934673

Frequently Asked Questions

What is the IUPAC name of (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The IUPAC name of (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one (CID 125493506) is (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one.
What is the SMILES notation for (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The canonical SMILES for (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one is O=C1C[C@@H](c2cccs2)Sc2sccc21.
What is the InChIKey of (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The InChIKey is IJMKQOVNWLAADA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H8OS3/c12-8-6-10(9-2-1-4-13-9)15-11-7(8)3-5-14-11/h1-5,10H,6H2/t10-/m0/s1.
What are the key properties of (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one has a molecular weight of 252.38 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one is sourced from PubChem (CID 125493506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).