2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol

C7H14O3S — CID 19082181

IUPAC2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol
SMILESOCCSCCC1OCCO1
InChIInChI=1S/C7H14O3S/c8-2-6-11-5-1-7-9-3-4-10-7/h7-8H,1-6H2
InChIKeyVZZICTCXPDLDBI-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.47
Rot. Bonds5

About 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol

2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol (PubChem CID 19082181) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol
PubChem CID19082181
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol
SMILESOCCSCCC1OCCO1
InChIInChI=1S/C7H14O3S/c8-2-6-11-5-1-7-9-3-4-10-7/h7-8H,1-6H2
InChIKeyVZZICTCXPDLDBI-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
S-[2-(1,3-dioxolan-2-yl)ethyl] ethanethioate
CID 11116580
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
2-[2-(Methylsulfanyl)ethyl]-1,3-dioxolane
CID 20398666
2-Ethyl-1,3-oxathiolan-5-ol
CID 20744753
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760
Actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744762
2-(Hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol (CID 19082181) is 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol is OCCSCCC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol?
The InChIKey is VZZICTCXPDLDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c8-2-6-11-5-1-7-9-3-4-10-7/h7-8H,1-6H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol?
2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol has a molecular weight of 178.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]ethanol is sourced from PubChem (CID 19082181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).