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

C12H12O4S2 — CID 11652122

IUPAC5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc(C2SCC3=C2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H12O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h5,12H,1-4,6H2
InChIKeyKKVJZBXHIQJPQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds1

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

5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 11652122) has the molecular formula C12H12O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID11652122
Molecular FormulaC12H12O4S2
Molecular Weight284.36 g/mol
Exact Mass284.02
IUPAC Name5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc(C2SCC3=C2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H12O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h5,12H,1-4,6H2
InChIKeyKKVJZBXHIQJPQV-UHFFFAOYSA-N
XLogP2.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 3761770
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
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
5-Thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
CID 86224794
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
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
3-[3,4-Bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 87527145
5-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 89322252
5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 135144251
5-Hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122375705

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 11652122) is 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1sc(C2SCC3=C2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is KKVJZBXHIQJPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h5,12H,1-4,6H2.
What are the key properties of 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 284.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 11652122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).