2,2-bis(2-methoxyethyl)-1,3-dithiane

C10H20O2S2 — CID 44722564

IUPAC2,2-bis(2-methoxyethyl)-1,3-dithiane
SMILESCOCCC1(CCOC)SCCCS1
InChIInChI=1S/C10H20O2S2/c1-11-6-4-10(5-7-12-2)13-8-3-9-14-10/h3-9H2,1-2H3
InChIKeyHGEASEGNAURSRA-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.63
Rot. Bonds6

About 2,2-bis(2-methoxyethyl)-1,3-dithiane

2,2-bis(2-methoxyethyl)-1,3-dithiane (PubChem CID 44722564) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,2-bis(2-methoxyethyl)-1,3-dithiane.

Molecular Properties

Compound Name2,2-bis(2-methoxyethyl)-1,3-dithiane
PubChem CID44722564
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name2,2-bis(2-methoxyethyl)-1,3-dithiane
SMILESCOCCC1(CCOC)SCCCS1
InChIInChI=1S/C10H20O2S2/c1-11-6-4-10(5-7-12-2)13-8-3-9-14-10/h3-9H2,1-2H3
InChIKeyHGEASEGNAURSRA-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyethyl)-1,3-dithiane?
The IUPAC name of 2,2-bis(2-methoxyethyl)-1,3-dithiane (CID 44722564) is 2,2-bis(2-methoxyethyl)-1,3-dithiane.
What is the SMILES notation for 2,2-bis(2-methoxyethyl)-1,3-dithiane?
The canonical SMILES for 2,2-bis(2-methoxyethyl)-1,3-dithiane is COCCC1(CCOC)SCCCS1.
What is the InChIKey of 2,2-bis(2-methoxyethyl)-1,3-dithiane?
The InChIKey is HGEASEGNAURSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S2/c1-11-6-4-10(5-7-12-2)13-8-3-9-14-10/h3-9H2,1-2H3.
What are the key properties of 2,2-bis(2-methoxyethyl)-1,3-dithiane?
2,2-bis(2-methoxyethyl)-1,3-dithiane has a molecular weight of 236.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxyethyl)-1,3-dithiane is sourced from PubChem (CID 44722564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).