5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C13H12O4S2 — CID 118889244

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C13H12O4S2/c1-7-9-11(17-5-4-15-9)13(19-7)12-10-8(6-18-12)14-2-3-16-10/h6H,2-5H2,1H3
InChIKeyFDFHDPFKHVICRE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds1

About 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 118889244) has the molecular formula C13H12O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID118889244
Molecular FormulaC13H12O4S2
Molecular Weight296.37 g/mol
Exact Mass296.02
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C13H12O4S2/c1-7-9-11(17-5-4-15-9)13(19-7)12-10-8(6-18-12)14-2-3-16-10/h6H,2-5H2,1H3
InChIKeyFDFHDPFKHVICRE-UHFFFAOYSA-N
XLogP3.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-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

7-Thiophen-2-yl-5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 15417852
2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 3761770
3-[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylpropanenitrile
CID 5246968
Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(2-thienyl)-
CID 15488041
7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 21049574
5,5'-(2,5-Thiophenediyl)bis[2,3-dihydrothieno[3,4-b]-1,4-dioxin]
CID 57370586
5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59027675
5-Bromo-7-[(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59591619
5-Thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
CID 86224794
3-Fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 71273597
5-[3,4-Bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 87197724

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 118889244) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(-c2scc3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is FDFHDPFKHVICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S2/c1-7-9-11(17-5-4-15-9)13(19-7)12-10-8(6-18-12)14-2-3-16-10/h6H,2-5H2,1H3.
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 296.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 118889244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).