2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole

C6H10O2S — CID 141230722

IUPAC2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
SMILESCC1OC2CSCC2O1
InChIInChI=1S/C6H10O2S/c1-4-7-5-2-9-3-6(5)8-4/h4-6H,2-3H2,1H3
InChIKeyIKJZEPSAZQFAQC-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.86
Rot. Bonds

About 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole

2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole (PubChem CID 141230722) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
PubChem CID141230722
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
SMILESCC1OC2CSCC2O1
InChIInChI=1S/C6H10O2S/c1-4-7-5-2-9-3-6(5)8-4/h4-6H,2-3H2,1H3
InChIKeyIKJZEPSAZQFAQC-UHFFFAOYSA-N
XLogP0.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole?
The IUPAC name of 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole (CID 141230722) is 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole.
What is the SMILES notation for 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole?
The canonical SMILES for 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole is CC1OC2CSCC2O1.
What is the InChIKey of 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole?
The InChIKey is IKJZEPSAZQFAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-7-5-2-9-3-6(5)8-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole?
2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole has a molecular weight of 146.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole is sourced from PubChem (CID 141230722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).