2-(thiolan-2-yl)-1,3-dioxolane

C7H12O2S — CID 13082344

IUPAC2-(thiolan-2-yl)-1,3-dioxolane
SMILESC1CSC(C2OCCO2)C1
InChIInChI=1S/C7H12O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h6-7H,1-5H2
InChIKeyBZDDBERJBZIUMC-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.25
Rot. Bonds1

About 2-(thiolan-2-yl)-1,3-dioxolane

2-(thiolan-2-yl)-1,3-dioxolane (PubChem CID 13082344) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1,3-dioxolane
PubChem CID13082344
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-(thiolan-2-yl)-1,3-dioxolane
SMILESC1CSC(C2OCCO2)C1
InChIInChI=1S/C7H12O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h6-7H,1-5H2
InChIKeyBZDDBERJBZIUMC-UHFFFAOYSA-N
XLogP1.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-7-thiaspiro[4.4]nonane
CID 2779018
6-Methoxymethyl-1,4-dioxa-7-thiaspiro[4,4]nonane
CID 21276496
2-(1,3-Dioxolan-2-yl)-1,3-oxathiolane
CID 53971050
1,3-Dioxolane;thiolane
CID 68649021
2-(1,3-Dioxolan-2-yl)thiolane 1,1-dioxide
CID 69560628
2-[2-(1,3-Dithiolan-2-yl)ethyl]-1,3-dioxolane
CID 91117914
5-(1,3-Dioxolan-2-yl)-1,3-oxathiolane
CID 129192037
2-(2-Methylsulfanylpropyl)-1,3-dioxolane
CID 55255657
2-(4-Methylsulfanylbutyl)-1,3-dioxolane
CID 102433266
2-(2-Cyclopentylsulfanylethyl)-1,3-dioxolane
CID 130643244
2-[(2-Methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane
CID 130747223
2-(Oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane
CID 131154467

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(thiolan-2-yl)-1,3-dioxolane (CID 13082344) is 2-(thiolan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(thiolan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(thiolan-2-yl)-1,3-dioxolane is C1CSC(C2OCCO2)C1.
What is the InChIKey of 2-(thiolan-2-yl)-1,3-dioxolane?
The InChIKey is BZDDBERJBZIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h6-7H,1-5H2.
What are the key properties of 2-(thiolan-2-yl)-1,3-dioxolane?
2-(thiolan-2-yl)-1,3-dioxolane has a molecular weight of 160.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 13082344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).