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

C12H12O4S2 — CID 58697339

IUPAC5-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc([C@@H]2SCC3=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/t12-/m1/s1
InChIKeyKKVJZBXHIQJPQV-GFCCVEGCSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds1

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

5-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 58697339) has the molecular formula C12H12O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(5R)-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-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID58697339
Molecular FormulaC12H12O4S2
Molecular Weight284.36 g/mol
Exact Mass284.02
IUPAC Name5-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc([C@@H]2SCC3=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/t12-/m1/s1
InChIKeyKKVJZBXHIQJPQV-GFCCVEGCSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-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-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 58697339) is 5-[(5R)-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-[(5R)-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-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1sc([C@@H]2SCC3=C2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-[(5R)-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-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of 5-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(5R)-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-[(5R)-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 58697339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).