5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C7H8O2S — CID 23553881

IUPAC5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1scc2c1OCCO2
InChIInChI=1S/C7H8O2S/c1-5-7-6(4-10-5)8-2-3-9-7/h4H,2-3H2,1H3
InChIKeyPIFHTLDQSLOKNG-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.83
Rot. Bonds

About 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 23553881) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID23553881
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1scc2c1OCCO2
InChIInChI=1S/C7H8O2S/c1-5-7-6(4-10-5)8-2-3-9-7/h4H,2-3H2,1H3
InChIKeyPIFHTLDQSLOKNG-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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

Launch Full Analysis

Related Compounds

2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile
CID 7537659
5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol
CID 7537657
Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
CID 11074018
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
3,4-Dimethoxy-2-methylthiophene
CID 19760688
Chloromethyl-3,4-ethylenedioxythiophene
CID 66919429
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3,4-Dimethoxy-2-(trifluoromethyl)thiophene
CID 91394201
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
5-[2-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 171111831

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 23553881) is 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1scc2c1OCCO2.
What is the InChIKey of 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is PIFHTLDQSLOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-7-6(4-10-5)8-2-3-9-7/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 156.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 23553881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).