1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol

C7H14O3S — CID 67657900

IUPAC1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1OCCO1
InChIInChI=1S/C7H14O3S/c1-2-11-5-6(8)7-9-3-4-10-7/h6-8H,2-5H2,1H3
InChIKeyNSRKCTKHCREZEO-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.47
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol

1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol (PubChem CID 67657900) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol
PubChem CID67657900
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1OCCO1
InChIInChI=1S/C7H14O3S/c1-2-11-5-6(8)7-9-3-4-10-7/h6-8H,2-5H2,1H3
InChIKeyNSRKCTKHCREZEO-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
S-(3,3-diethoxy-2-hydroxypropyl) ethanethioate
CID 10933052
(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
S-[(2R)-3,3-diethoxy-2-hydroxypropyl] ethanethioate
CID 135056029
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
(3S,4S,5S)-2-butylsulfanyl-5-methoxy-tetrahydrofuran-3,4-diol
CID 86574804
(3S,4S,5R)-2-butylsulfanyl-5-methoxy-tetrahydrofuran-3,4-diol
CID 86574823
4-(Ethylsulfanylmethyl)-1,3-dioxolane
CID 12032631
2-Methyl-4-(methylsulfanylmethyl)-1,3-dioxolane
CID 12246125
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
S-[1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethyl] ethanethioate
CID 17766296
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol (CID 67657900) is 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol is CCSCC(O)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol?
The InChIKey is NSRKCTKHCREZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-11-5-6(8)7-9-3-4-10-7/h6-8H,2-5H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol?
1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol has a molecular weight of 178.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-2-ethylsulfanylethanol is sourced from PubChem (CID 67657900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).