2-methyl-2-thiophen-2-yl-1,3-dioxolane

C8H10O2S — CID 7010305

IUPAC2-methyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCC1(c2cccs2)OCCO1
InChIInChI=1S/C8H10O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKeyCNPKXFSCQYGEQV-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-2-thiophen-2-yl-1,3-dioxolane

2-methyl-2-thiophen-2-yl-1,3-dioxolane (PubChem CID 7010305) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-yl-1,3-dioxolane
PubChem CID7010305
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-methyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCC1(c2cccs2)OCCO1
InChIInChI=1S/C8H10O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKeyCNPKXFSCQYGEQV-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-thiophen-2-yl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-yl-1,3-dioxolane?
The IUPAC name of 2-methyl-2-thiophen-2-yl-1,3-dioxolane (CID 7010305) is 2-methyl-2-thiophen-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-thiophen-2-yl-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-thiophen-2-yl-1,3-dioxolane is CC1(c2cccs2)OCCO1.
What is the InChIKey of 2-methyl-2-thiophen-2-yl-1,3-dioxolane?
The InChIKey is CNPKXFSCQYGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-8(9-4-5-10-8)7-3-2-6-11-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-2-thiophen-2-yl-1,3-dioxolane?
2-methyl-2-thiophen-2-yl-1,3-dioxolane has a molecular weight of 170.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-yl-1,3-dioxolane is sourced from PubChem (CID 7010305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).