4-(ethylsulfanylmethyl)-1,3-dioxolane

C6H12O2S — CID 12032631

IUPAC4-(ethylsulfanylmethyl)-1,3-dioxolane
SMILESCCSCC1COCO1
InChIInChI=1S/C6H12O2S/c1-2-9-4-6-3-7-5-8-6/h6H,2-5H2,1H3
InChIKeyNRQFEAACOASZMI-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.11
Rot. Bonds3

About 4-(ethylsulfanylmethyl)-1,3-dioxolane

4-(ethylsulfanylmethyl)-1,3-dioxolane (PubChem CID 12032631) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-1,3-dioxolane
PubChem CID12032631
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name4-(ethylsulfanylmethyl)-1,3-dioxolane
SMILESCCSCC1COCO1
InChIInChI=1S/C6H12O2S/c1-2-9-4-6-3-7-5-8-6/h6H,2-5H2,1H3
InChIKeyNRQFEAACOASZMI-UHFFFAOYSA-N
XLogP1.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-1,3-dioxolane?
The IUPAC name of 4-(ethylsulfanylmethyl)-1,3-dioxolane (CID 12032631) is 4-(ethylsulfanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-1,3-dioxolane?
The canonical SMILES for 4-(ethylsulfanylmethyl)-1,3-dioxolane is CCSCC1COCO1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-1,3-dioxolane?
The InChIKey is NRQFEAACOASZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-9-4-6-3-7-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 4-(ethylsulfanylmethyl)-1,3-dioxolane?
4-(ethylsulfanylmethyl)-1,3-dioxolane has a molecular weight of 148.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 12032631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).