2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane

C8H18O2S — CID 21026573

IUPAC2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane
SMILESCS(C)(C)CCC1OCCO1
InChIInChI=1S/C8H18O2S/c1-11(2,3)7-4-8-9-5-6-10-8/h8H,4-7H2,1-3H3
InChIKeyWHNLRZBCPJLFHX-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.44
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane

2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane (PubChem CID 21026573) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane
PubChem CID21026573
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane
SMILESCS(C)(C)CCC1OCCO1
InChIInChI=1S/C8H18O2S/c1-11(2,3)7-4-8-9-5-6-10-8/h8H,4-7H2,1-3H3
InChIKeyWHNLRZBCPJLFHX-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methional diethyl acetal
CID 85521
1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
2-Methyl-2-(1'-methylthiomethyl)ethyl-4-oxymeth-yl-1,3-dioxolane
CID 129773577
1-(2,2-Diethoxyethylsulfanyl)propane
CID 12356801
1-(2,2-Diethoxyethylsulfanyl)butane
CID 12726339
2-(Tert-butylsulfanylmethyl)-1,3-dioxolane
CID 21574749
S-[2-(1,3-dioxolan-2-yl)ethyl] ethanethioate
CID 11116580
2-Methyl-4-(methylsulfanylmethyl)-1,3-dioxolane
CID 12246125
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
1,1-Dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane
CID 19602185
O-(2,2-diethoxyethyl) butylsulfanylmethanethioate
CID 19827508
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane?
The IUPAC name of 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane (CID 21026573) is 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane is CS(C)(C)CCC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane?
The InChIKey is WHNLRZBCPJLFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-11(2,3)7-4-8-9-5-6-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane?
2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane has a molecular weight of 178.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)ethyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 21026573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).