2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C8H10O2S — CID 23513202

IUPAC2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC1Oc2cscc2OC1C
InChIInChI=1S/C8H10O2S/c1-5-6(2)10-8-4-11-3-7(8)9-5/h3-6H,1-2H3
InChIKeyWKAIMTAQTRKDTN-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.30
Rot. Bonds

About 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 23513202) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID23513202
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC1Oc2cscc2OC1C
InChIInChI=1S/C8H10O2S/c1-5-6(2)10-8-4-11-3-7(8)9-5/h3-6H,1-2H3
InChIKeyWKAIMTAQTRKDTN-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 23513202) is 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC1Oc2cscc2OC1C.
What is the InChIKey of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is WKAIMTAQTRKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-6(2)10-8-4-11-3-7(8)9-5/h3-6H,1-2H3.
What are the key properties of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 170.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 23513202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).