7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane

C10H18O2S2 — CID 142122923

IUPAC7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane
SMILESCC.CC1CCc2ccsc2S1(O)O
InChIInChI=1S/C8H12O2S2.C2H6/c1-6-2-3-7-4-5-11-8(7)12(6,9)10;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3
InChIKeyJYDNKSCNBQIMIU-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.22
Rot. Bonds

About 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane

7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane (PubChem CID 142122923) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane.

Molecular Properties

Compound Name7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane
PubChem CID142122923
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane
SMILESCC.CC1CCc2ccsc2S1(O)O
InChIInChI=1S/C8H12O2S2.C2H6/c1-6-2-3-7-4-5-11-8(7)12(6,9)10;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3
InChIKeyJYDNKSCNBQIMIU-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane?
The IUPAC name of 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane (CID 142122923) is 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane.
What is the SMILES notation for 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane?
The canonical SMILES for 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane is CC.CC1CCc2ccsc2S1(O)O.
What is the InChIKey of 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane?
The InChIKey is JYDNKSCNBQIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2.C2H6/c1-6-2-3-7-4-5-11-8(7)12(6,9)10;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3.
What are the key properties of 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane?
7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane has a molecular weight of 234.39 g/mol, XLogP of 4.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane is sourced from PubChem (CID 142122923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).