2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol

C8H10O3S2 — CID 91980163

IUPAC2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
SMILESCC1CC2=C(SC=CC2O)S1(=O)=O
InChIInChI=1S/C8H10O3S2/c1-5-4-6-7(9)2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3
InChIKeyBCNSCHUAOBUBGH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.03
Rot. Bonds

About 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol

2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol (PubChem CID 91980163) has the molecular formula C8H10O3S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
PubChem CID91980163
Molecular FormulaC8H10O3S2
Molecular Weight218.30 g/mol
Exact Mass218.01
IUPAC Name2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
SMILESCC1CC2=C(SC=CC2O)S1(=O)=O
InChIInChI=1S/C8H10O3S2/c1-5-4-6-7(9)2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3
InChIKeyBCNSCHUAOBUBGH-UHFFFAOYSA-N
XLogP1.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The IUPAC name of 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol (CID 91980163) is 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol.
What is the SMILES notation for 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The canonical SMILES for 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol is CC1CC2=C(SC=CC2O)S1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The InChIKey is BCNSCHUAOBUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S2/c1-5-4-6-7(9)2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3.
What are the key properties of 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol has a molecular weight of 218.30 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol is sourced from PubChem (CID 91980163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).