2-thiophen-2-yl-1,3-dioxane

C8H10O2S — CID 82111316

IUPAC2-thiophen-2-yl-1,3-dioxane
SMILESc1csc(C2OCCCO2)c1
InChIInChI=1S/C8H10O2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1,3,6,8H,2,4-5H2
InChIKeyXXOLZDVUNIVULR-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.18
Rot. Bonds1

About 2-thiophen-2-yl-1,3-dioxane

2-thiophen-2-yl-1,3-dioxane (PubChem CID 82111316) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-dioxane
PubChem CID82111316
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-thiophen-2-yl-1,3-dioxane
SMILESc1csc(C2OCCCO2)c1
InChIInChI=1S/C8H10O2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1,3,6,8H,2,4-5H2
InChIKeyXXOLZDVUNIVULR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-2-(diethoxymethyl)thiophene
CID 7022388
[Thiophen-2-yl-(2,2,2-trifluoroacetyl)oxymethyl] 2,2,2-trifluoroacetate
CID 90299388
(Acetyloxy)(thiophen-2-yl)methyl acetate
CID 2797620
2-Acetylthiophene ethylene acetal
CID 7010305
2-Dimethoxymethyl-thiophene
CID 11819307
2-(4-Iodothiophen-2-yl)-1,3-dioxolane
CID 137951453
2-[2,2-Difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene
CID 134996287
2-(Methoxymethyl)thiophene
CID 10240820
2-(1,1-Dimethoxyethyl)thiophene
CID 11446598
2-(Diethoxymethyl)thiophene
CID 12280018
4-Bromo-2-(diethoxymethyl)thiophene
CID 12280024
5-Ethyl-2-(ethylthio)-3-thiophenecarboxaldehyde diethyl acetal
CID 12455329

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-dioxane?
The IUPAC name of 2-thiophen-2-yl-1,3-dioxane (CID 82111316) is 2-thiophen-2-yl-1,3-dioxane.
What is the SMILES notation for 2-thiophen-2-yl-1,3-dioxane?
The canonical SMILES for 2-thiophen-2-yl-1,3-dioxane is c1csc(C2OCCCO2)c1.
What is the InChIKey of 2-thiophen-2-yl-1,3-dioxane?
The InChIKey is XXOLZDVUNIVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1,3,6,8H,2,4-5H2.
What are the key properties of 2-thiophen-2-yl-1,3-dioxane?
2-thiophen-2-yl-1,3-dioxane has a molecular weight of 170.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-dioxane is sourced from PubChem (CID 82111316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).