2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine

C10H12O2S — CID 23561668

IUPAC2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine
SMILESCC1=C(C)Oc2c(C)sc(C)c2O1
InChIInChI=1S/C10H12O2S/c1-5-6(2)12-10-8(4)13-7(3)9(10)11-5/h1-4H3
InChIKeyXTGBGWATPVJCFC-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.39
Rot. Bonds

About 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine

2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine (PubChem CID 23561668) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine
PubChem CID23561668
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine
SMILESCC1=C(C)Oc2c(C)sc(C)c2O1
InChIInChI=1S/C10H12O2S/c1-5-6(2)12-10-8(4)13-7(3)9(10)11-5/h1-4H3
InChIKeyXTGBGWATPVJCFC-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine?
The IUPAC name of 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine (CID 23561668) is 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine?
The canonical SMILES for 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine is CC1=C(C)Oc2c(C)sc(C)c2O1.
What is the InChIKey of 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine?
The InChIKey is XTGBGWATPVJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-5-6(2)12-10-8(4)13-7(3)9(10)11-5/h1-4H3.
What are the key properties of 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine?
2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine has a molecular weight of 196.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethylthieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 23561668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).