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

C5H10O2S — CID 123704944

IUPAC1-(1,3-dioxolan-2-yl)ethanethiol
SMILESCC(S)C1OCCO1
InChIInChI=1S/C5H10O2S/c1-4(8)5-6-2-3-7-5/h4-5,8H,2-3H2,1H3
InChIKeyJRFNLOGZDHNEEP-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.68
Rot. Bonds1

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

1-(1,3-dioxolan-2-yl)ethanethiol (PubChem CID 123704944) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)ethanethiol
PubChem CID123704944
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name1-(1,3-dioxolan-2-yl)ethanethiol
SMILESCC(S)C1OCCO1
InChIInChI=1S/C5H10O2S/c1-4(8)5-6-2-3-7-5/h4-5,8H,2-3H2,1H3
InChIKeyJRFNLOGZDHNEEP-UHFFFAOYSA-N
XLogP0.68
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dioxan-2-yl)ethanethiol
CID 144550706
1-(oxiran-2-yl)ethanethiol
CID 141230840
1-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 174559925
2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane
CID 89224243
2-heptan-4-yl-1,3-dioxolane
CID 57255481
2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane
CID 139533960
2-butan-2-yl-1,3-dioxane
CID 20509708
magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride
CID 173097852
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 101148003
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
CID 94252080
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
2-(1-phenoxyethyl)-1,3-dioxolane
CID 174488411

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)ethanethiol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)ethanethiol (CID 123704944) is 1-(1,3-dioxolan-2-yl)ethanethiol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)ethanethiol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)ethanethiol is CC(S)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)ethanethiol?
The InChIKey is JRFNLOGZDHNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4(8)5-6-2-3-7-5/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)ethanethiol?
1-(1,3-dioxolan-2-yl)ethanethiol has a molecular weight of 134.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)ethanethiol is sourced from PubChem (CID 123704944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).