2-(methylsulfanylmethyl)-1,3-dioxolane

C5H10O2S — CID 20662577

IUPAC2-(methylsulfanylmethyl)-1,3-dioxolane
SMILESCSCC1OCCO1
InChIInChI=1S/C5H10O2S/c1-8-4-5-6-2-3-7-5/h5H,2-4H2,1H3
InChIKeyWPTAXNSUQQOPQZ-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.72
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1,3-dioxolane

2-(methylsulfanylmethyl)-1,3-dioxolane (PubChem CID 20662577) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,3-dioxolane
PubChem CID20662577
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-(methylsulfanylmethyl)-1,3-dioxolane
SMILESCSCC1OCCO1
InChIInChI=1S/C5H10O2S/c1-8-4-5-6-2-3-7-5/h5H,2-4H2,1H3
InChIKeyWPTAXNSUQQOPQZ-UHFFFAOYSA-N
XLogP0.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylthio)-acetaldehyde diethyl acetal
CID 295980
(1,3-Dioxolan-2-yl)methanethiol
CID 14818259
2-Ethoxy-1,3-oxathiolane
CID 5136003
1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
2-(2-Mercaptoethyl)-1,3-dioxolane
CID 11007958
(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
2-(Tert-butylsulfanylmethyl)-1,3-dioxolane
CID 21574749
S-[2-(1,3-dioxolan-2-yl)ethyl] ethanethioate
CID 11116580
1,3-Dioxolan-2-ylmethyl thiocyanate
CID 11480518
2-Methyl-4-(methylsulfanylmethyl)-1,3-dioxolane
CID 12246125
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
1,3-Oxathiolane, 2-methoxy-
CID 13626816

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,3-dioxolane?
The IUPAC name of 2-(methylsulfanylmethyl)-1,3-dioxolane (CID 20662577) is 2-(methylsulfanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,3-dioxolane?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,3-dioxolane is CSCC1OCCO1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,3-dioxolane?
The InChIKey is WPTAXNSUQQOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-8-4-5-6-2-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,3-dioxolane?
2-(methylsulfanylmethyl)-1,3-dioxolane has a molecular weight of 134.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 20662577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).