2-(3-methylthiophen-2-yl)-1,3-dioxolane

C8H10O2S — CID 12926522

IUPAC2-(3-methylthiophen-2-yl)-1,3-dioxolane
SMILESCc1ccsc1C1OCCO1
InChIInChI=1S/C8H10O2S/c1-6-2-5-11-7(6)8-9-3-4-10-8/h2,5,8H,3-4H2,1H3
InChIKeyUXXOEDMEGTWEBV-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.10
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-1,3-dioxolane

2-(3-methylthiophen-2-yl)-1,3-dioxolane (PubChem CID 12926522) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1,3-dioxolane
PubChem CID12926522
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(3-methylthiophen-2-yl)-1,3-dioxolane
SMILESCc1ccsc1C1OCCO1
InChIInChI=1S/C8H10O2S/c1-6-2-5-11-7(6)8-9-3-4-10-8/h2,5,8H,3-4H2,1H3
InChIKeyUXXOEDMEGTWEBV-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1,3-dioxolane (CID 12926522) is 2-(3-methylthiophen-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1,3-dioxolane is Cc1ccsc1C1OCCO1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1,3-dioxolane?
The InChIKey is UXXOEDMEGTWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6-2-5-11-7(6)8-9-3-4-10-8/h2,5,8H,3-4H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-1,3-dioxolane?
2-(3-methylthiophen-2-yl)-1,3-dioxolane has a molecular weight of 170.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1,3-dioxolane is sourced from PubChem (CID 12926522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).