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

C8H8OS2 — CID 10375140

IUPAC(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESC[C@H]1CC(=O)c2ccsc2S1
InChIInChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyFLJFMDYYNMNASJ-YFKPBYRVSA-N
MW184.28 g/mol
LogP2.82
Rot. Bonds

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

(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one (PubChem CID 10375140) has the molecular formula C8H8OS2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one.

Molecular Properties

Compound Name(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
PubChem CID10375140
Molecular FormulaC8H8OS2
Molecular Weight184.28 g/mol
Exact Mass184.00
IUPAC Name(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESC[C@H]1CC(=O)c2ccsc2S1
InChIInChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyFLJFMDYYNMNASJ-YFKPBYRVSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The IUPAC name of (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one (CID 10375140) is (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one.
What is the SMILES notation for (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The canonical SMILES for (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one is C[C@H]1CC(=O)c2ccsc2S1.
What is the InChIKey of (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The InChIKey is FLJFMDYYNMNASJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one is sourced from PubChem (CID 10375140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).