1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide

C11H8O4S2 — CID 129087641

IUPAC1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide
SMILESCC1=CS(=O)(=O)c2ccc3c(c21)C=CS3(=O)=O
InChIInChI=1S/C11H8O4S2/c1-7-6-17(14,15)10-3-2-9-8(11(7)10)4-5-16(9,12)13/h2-6H,1H3
InChIKeyWNWPTNGNGNXAAW-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.59
Rot. Bonds

About 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide

1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide (PubChem CID 129087641) has the molecular formula C11H8O4S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide.

Molecular Properties

Compound Name1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide
PubChem CID129087641
Molecular FormulaC11H8O4S2
Molecular Weight268.31 g/mol
Exact Mass267.99
IUPAC Name1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide
SMILESCC1=CS(=O)(=O)c2ccc3c(c21)C=CS3(=O)=O
InChIInChI=1S/C11H8O4S2/c1-7-6-17(14,15)10-3-2-9-8(11(7)10)4-5-16(9,12)13/h2-6H,1H3
InChIKeyWNWPTNGNGNXAAW-UHFFFAOYSA-N
XLogP1.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide?
The IUPAC name of 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide (CID 129087641) is 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide.
What is the SMILES notation for 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide?
The canonical SMILES for 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide is CC1=CS(=O)(=O)c2ccc3c(c21)C=CS3(=O)=O.
What is the InChIKey of 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide?
The InChIKey is WNWPTNGNGNXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S2/c1-7-6-17(14,15)10-3-2-9-8(11(7)10)4-5-16(9,12)13/h2-6H,1H3.
What are the key properties of 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide?
1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide has a molecular weight of 268.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylthieno[3,2-e][1]benzothiole 3,3,6,6-tetraoxide is sourced from PubChem (CID 129087641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).