2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane

C9H16O3S — CID 131154467

IUPAC2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane
SMILESC1COC(CSCC2OCCO2)C1
InChIInChI=1S/C9H16O3S/c1-2-8(10-3-1)6-13-7-9-11-4-5-12-9/h8-9H,1-7H2
InChIKeyBIUSDQSUDPFDOP-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.27
Rot. Bonds4

About 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane

2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane (PubChem CID 131154467) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane
PubChem CID131154467
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane
SMILESC1COC(CSCC2OCCO2)C1
InChIInChI=1S/C9H16O3S/c1-2-8(10-3-1)6-13-7-9-11-4-5-12-9/h8-9H,1-7H2
InChIKeyBIUSDQSUDPFDOP-UHFFFAOYSA-N
XLogP1.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

(3aS,4R,6R,6aS)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 11148166
2-(Thiolan-2-yl)-1,3-dioxolane
CID 13082344
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
(3aS,4R)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 58320978
(3aS,4R)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 68324296
(3aS)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 68330368
(1S,3R)-7-butoxy-3-methoxy-2-oxa-5-thiabicyclo[2.2.1]heptane
CID 68343866
(3aR,6S,6aS)-4-methoxy-2,2-dimethyl-6-(methylsulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 70193180
(3aS,4R,6aR)-4-(butoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 71182251
4-Ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 76759933
(3aS,4R,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 89348829

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane (CID 131154467) is 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane is C1COC(CSCC2OCCO2)C1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane?
The InChIKey is BIUSDQSUDPFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-2-8(10-3-1)6-13-7-9-11-4-5-12-9/h8-9H,1-7H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane?
2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane has a molecular weight of 204.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 131154467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).