2-(1,4-dithian-2-yl)-1,3-dioxolane

C7H12O2S2 — CID 91175222

IUPAC2-(1,4-dithian-2-yl)-1,3-dioxolane
SMILESC1COC(C2CSCCS2)O1
InChIInChI=1S/C7H12O2S2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h6-7H,1-5H2
InChIKeyDPADSIIWBCMYRD-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.21
Rot. Bonds1

About 2-(1,4-dithian-2-yl)-1,3-dioxolane

2-(1,4-dithian-2-yl)-1,3-dioxolane (PubChem CID 91175222) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-1,3-dioxolane
PubChem CID91175222
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name2-(1,4-dithian-2-yl)-1,3-dioxolane
SMILESC1COC(C2CSCCS2)O1
InChIInChI=1S/C7H12O2S2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h6-7H,1-5H2
InChIKeyDPADSIIWBCMYRD-UHFFFAOYSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(1,4-dithian-2-yl)-1,3-dioxolane (CID 91175222) is 2-(1,4-dithian-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(1,4-dithian-2-yl)-1,3-dioxolane is C1COC(C2CSCCS2)O1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-1,3-dioxolane?
The InChIKey is DPADSIIWBCMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h6-7H,1-5H2.
What are the key properties of 2-(1,4-dithian-2-yl)-1,3-dioxolane?
2-(1,4-dithian-2-yl)-1,3-dioxolane has a molecular weight of 192.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-1,3-dioxolane is sourced from PubChem (CID 91175222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).