(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol

C8H10O3S2 — CID 67830870

IUPAC(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol
SMILESO=S1(=O)C2=C(CC1CO)SCC=C2
InChIInChI=1S/C8H10O3S2/c9-5-6-4-7-8(13(6,10)11)2-1-3-12-7/h1-2,6,9H,3-5H2
InChIKeyIJPKLVXKUCRDSB-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.68
Rot. Bonds1

About (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol

(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol (PubChem CID 67830870) has the molecular formula C8H10O3S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol
PubChem CID67830870
Molecular FormulaC8H10O3S2
Molecular Weight218.30 g/mol
Exact Mass218.01
IUPAC Name(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol
SMILESO=S1(=O)C2=C(CC1CO)SCC=C2
InChIInChI=1S/C8H10O3S2/c9-5-6-4-7-8(13(6,10)11)2-1-3-12-7/h1-2,6,9H,3-5H2
InChIKeyIJPKLVXKUCRDSB-UHFFFAOYSA-N
XLogP0.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol?
The IUPAC name of (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol (CID 67830870) is (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol.
What is the SMILES notation for (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol?
The canonical SMILES for (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol is O=S1(=O)C2=C(CC1CO)SCC=C2.
What is the InChIKey of (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol?
The InChIKey is IJPKLVXKUCRDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S2/c9-5-6-4-7-8(13(6,10)11)2-1-3-12-7/h1-2,6,9H,3-5H2.
What are the key properties of (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol?
(1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-3,5-dihydro-2H-thieno[3,2-b]thiopyran-2-yl)methanol is sourced from PubChem (CID 67830870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).