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

C5H10O2S — CID 11007958

IUPAC2-(1,3-dioxolan-2-yl)ethanethiol
SMILESSCCC1OCCO1
InChIInChI=1S/C5H10O2S/c8-4-1-5-6-2-3-7-5/h5,8H,1-4H2
InChIKeyXOFLFDMFAXEJDW-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.68
Rot. Bonds2

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

2-(1,3-dioxolan-2-yl)ethanethiol (PubChem CID 11007958) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)ethanethiol
PubChem CID11007958
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-(1,3-dioxolan-2-yl)ethanethiol
SMILESSCCC1OCCO1
InChIInChI=1S/C5H10O2S/c8-4-1-5-6-2-3-7-5/h5,8H,1-4H2
InChIKeyXOFLFDMFAXEJDW-UHFFFAOYSA-N
XLogP0.68
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)ethanethiol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)ethanethiol (CID 11007958) is 2-(1,3-dioxolan-2-yl)ethanethiol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)ethanethiol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)ethanethiol is SCCC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)ethanethiol?
The InChIKey is XOFLFDMFAXEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c8-4-1-5-6-2-3-7-5/h5,8H,1-4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)ethanethiol?
2-(1,3-dioxolan-2-yl)ethanethiol has a molecular weight of 134.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)ethanethiol is sourced from PubChem (CID 11007958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).