2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane

C9H16O3S — CID 130747223

IUPAC2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane
SMILESCC1OCCC1SCC1OCCO1
InChIInChI=1S/C9H16O3S/c1-7-8(2-3-10-7)13-6-9-11-4-5-12-9/h7-9H,2-6H2,1H3
InChIKeyJEODNXMLWJZESH-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.27
Rot. Bonds3

About 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane

2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane (PubChem CID 130747223) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane
PubChem CID130747223
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane
SMILESCC1OCCC1SCC1OCCO1
InChIInChI=1S/C9H16O3S/c1-7-8(2-3-10-7)13-6-9-11-4-5-12-9/h7-9H,2-6H2,1H3
InChIKeyJEODNXMLWJZESH-UHFFFAOYSA-N
XLogP1.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

4-[Bis(ethylsulfanyl)methyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
CID 268838
(4R,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11267692
(3aR,6S,6aS)-6-(2-fluoroethylsulfanylmethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 53684814
(4S,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11782662
(3aS,4R,6R,6aS)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 11148166
2-(2-Methyl-1,3-dithiolan-2-yl)-2-propyl-1,3-dioxolane
CID 12296895
(3aS,4R,6R,6aS)-4,6-diethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 134992485
(4S,5S)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11035088
2-(Thiolan-2-yl)-1,3-dioxolane
CID 13082344
4,5-Dimethyl-2-[2-(methylsulfanyl)ethyl]-1,3-dioxolane
CID 20398669
6-Methoxymethyl-1,4-dioxa-7-thiaspiro[4,4]nonane
CID 21276496
(3aR,4R,6S,6aS)-6-(ethylsulfanylmethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 54158778

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane?
The IUPAC name of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane (CID 130747223) is 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane is CC1OCCC1SCC1OCCO1.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane?
The InChIKey is JEODNXMLWJZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-7-8(2-3-10-7)13-6-9-11-4-5-12-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane?
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane has a molecular weight of 204.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-dioxolane is sourced from PubChem (CID 130747223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).