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

C15H16O4S3 — CID 147519853

IUPAC7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)Sc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C15H16O4S3/c1-8(2)21-15-12-11(18-5-6-19-12)14(22-15)13-10-9(7-20-13)16-3-4-17-10/h7-8H,3-6H2,1-2H3
InChIKeyFKYIWVVGQKRDBK-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.52
Rot. Bonds3

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

7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 147519853) has the molecular formula C15H16O4S3 and a molecular weight of 356.49 g/mol. Its IUPAC name is 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID147519853
Molecular FormulaC15H16O4S3
Molecular Weight356.49 g/mol
Exact Mass356.02
IUPAC Name7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)Sc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C15H16O4S3/c1-8(2)21-15-12-11(18-5-6-19-12)14(22-15)13-10-9(7-20-13)16-3-4-17-10/h7-8H,3-6H2,1-2H3
InChIKeyFKYIWVVGQKRDBK-UHFFFAOYSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Related Compounds

6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7-(7-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214313
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-[5-[5-[5-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214308
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
CID 67470058
bromomethane;4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-1-methylpyridin-1-ium
CID 142292526
5-[5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pentyl-triethoxysilane
CID 102520742
5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101124360
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
CID 101480670
[6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3-methyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl]methyl methanesulfonate
CID 164725139
tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
CID 86053872
5-[3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4,5-bis(octylsulfanyl)-2-benzothiophen-1-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101104625

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 147519853) is 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC(C)Sc1sc(-c2scc3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is FKYIWVVGQKRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S3/c1-8(2)21-15-12-11(18-5-6-19-12)14(22-15)13-10-9(7-20-13)16-3-4-17-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 356.49 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 147519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).