2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane

C10H18O2S2 — CID 11831374

IUPAC2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane
SMILESC1CSC(CCCC2OCCO2)SC1
InChIInChI=1S/C10H18O2S2/c1(3-9-11-5-6-12-9)4-10-13-7-2-8-14-10/h9-10H,1-8H2
InChIKeyGDKGARZMCOPPRD-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.73
Rot. Bonds4

About 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane

2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane (PubChem CID 11831374) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane
PubChem CID11831374
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane
SMILESC1CSC(CCCC2OCCO2)SC1
InChIInChI=1S/C10H18O2S2/c1(3-9-11-5-6-12-9)4-10-13-7-2-8-14-10/h9-10H,1-8H2
InChIKeyGDKGARZMCOPPRD-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
2-[4-(1,3-Dithiolan-2-yl)butoxy]oxane
CID 10978289
2-(1,3-Dithian-2-ylmethyl)-1,3-dioxolane
CID 13952910
1,3-Dithiane, 2-[4-(1-ethoxyethoxy)butyl]
CID 576633
2-[2-(1,3-Dithian-2-yl)ethyl]-1,3-dioxolane
CID 583278
2-[2-[2-(2,2-Dimethoxyethyl)-1,3-dithian-2-yl]ethyl]-2-methyl-1,3-dioxolane
CID 11638375
2-[2-(1,3-Dithiolan-2-yl)ethyl]-1,3-dioxane
CID 88089528
2-(1,4-Dithian-2-yl)-1,3-dioxolane
CID 91175222
4-[3,3-Bis(ethylsulfanyl)propyl]-2,2-dimethyl-1,3-dioxolane
CID 143024793
(2S)-4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]-2-[2-[(1S)-1-methylsulfanylethyl]sulfanylethyl]-1,3-dioxane
CID 163562421
2-[2-(Thiolan-2-yloxy)thiolan-2-yl]oxyoxane
CID 176149634
(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11020835

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane (CID 11831374) is 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane is C1CSC(CCCC2OCCO2)SC1.
What is the InChIKey of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane?
The InChIKey is GDKGARZMCOPPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1(3-9-11-5-6-12-9)4-10-13-7-2-8-14-10/h9-10H,1-8H2.
What are the key properties of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane?
2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane has a molecular weight of 234.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dioxolane is sourced from PubChem (CID 11831374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).