5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C10H7BrO2S2 — CID 102576628

IUPAC5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1ccsc1-c1scc2c1OCCO2
InChIInChI=1S/C10H7BrO2S2/c11-6-1-4-14-9(6)10-8-7(5-15-10)12-2-3-13-8/h1,4-5H,2-3H2
InChIKeyZRZGVWUKNLGTJK-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.01
Rot. Bonds1

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

5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 102576628) has the molecular formula C10H7BrO2S2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID102576628
Molecular FormulaC10H7BrO2S2
Molecular Weight303.20 g/mol
Exact Mass301.91
IUPAC Name5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1ccsc1-c1scc2c1OCCO2
InChIInChI=1S/C10H7BrO2S2/c11-6-1-4-14-9(6)10-8-7(5-15-10)12-2-3-13-8/h1,4-5H,2-3H2
InChIKeyZRZGVWUKNLGTJK-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 102576628) is 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1ccsc1-c1scc2c1OCCO2.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ZRZGVWUKNLGTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2/c11-6-1-4-14-9(6)10-8-7(5-15-10)12-2-3-13-8/h1,4-5H,2-3H2.
What are the key properties of 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 303.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 102576628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).