2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane

C9H16O3S — CID 79327416

IUPAC2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane
SMILESC1COC(CCSC2COC2)OC1
InChIInChI=1S/C9H16O3S/c1-3-11-9(12-4-1)2-5-13-8-6-10-7-8/h8-9H,1-7H2
InChIKeyZCRYOWFTDUQBSA-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane

2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane (PubChem CID 79327416) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane
PubChem CID79327416
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane
SMILESC1COC(CCSC2COC2)OC1
InChIInChI=1S/C9H16O3S/c1-3-11-9(12-4-1)2-5-13-8-6-10-7-8/h8-9H,1-7H2
InChIKeyZCRYOWFTDUQBSA-UHFFFAOYSA-N
XLogP1.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-Diethoxyethyl)-1,3-dithiane
CID 13192745
trans-2-t-Butyl-5-(t-butylthio)-1,3-dioxane
CID 13841259
2,4,6-Triethyl-[1,3,5]dioxathiane, stereoisomer 1
CID 91750809
5-(Methylsulfanylmethyl)-2-propan-2-yl-1,3-dioxane
CID 21677895
Dimethyl-[(2-propan-2-yl-1,3-dioxan-5-yl)methyl]sulfanium
CID 21677898
5,5-Dimethyl-2-(2-methylsulfanylethyl)-1,3-dioxane
CID 54500166
2-[2-(1,2-Dimethylthiiran-1-yl)ethyl]-1,3-dioxane
CID 132137792
2-[2-[(1S)-1-methylsulfanylethyl]sulfanylethyl]-1,3-dioxane
CID 154991037
2-[2-(1-Ethoxyethoxy)ethyl]-1,3-dithiane
CID 11333837
2-(2-Ethylsulfanylethyl)-1,3-dioxane
CID 12266889
5-Tert-butylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 13841258
2-[2-(1,3-Dioxan-2-yl)ethylsulfanyl]ethanol
CID 66472153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane (CID 79327416) is 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane is C1COC(CCSC2COC2)OC1.
What is the InChIKey of 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane?
The InChIKey is ZCRYOWFTDUQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-11-9(12-4-1)2-5-13-8-6-10-7-8/h8-9H,1-7H2.
What are the key properties of 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane?
2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane has a molecular weight of 204.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane is sourced from PubChem (CID 79327416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).