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

C5H8O2S — CID 129121379

IUPAC1-(1,3-dioxolan-2-yl)ethenethiol
SMILESC=C(S)C1OCCO1
InChIInChI=1S/C5H8O2S/c1-4(8)5-6-2-3-7-5/h5,8H,1-3H2
InChIKeyPGWTWBKYKXGJBP-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.80
Rot. Bonds1

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

1-(1,3-dioxolan-2-yl)ethenethiol (PubChem CID 129121379) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)ethenethiol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)ethenethiol
PubChem CID129121379
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name1-(1,3-dioxolan-2-yl)ethenethiol
SMILESC=C(S)C1OCCO1
InChIInChI=1S/C5H8O2S/c1-4(8)5-6-2-3-7-5/h5,8H,1-3H2
InChIKeyPGWTWBKYKXGJBP-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-dioxolan-2-yl)ethenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)ethenethiol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)ethenethiol (CID 129121379) is 1-(1,3-dioxolan-2-yl)ethenethiol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)ethenethiol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)ethenethiol is C=C(S)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)ethenethiol?
The InChIKey is PGWTWBKYKXGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-4(8)5-6-2-3-7-5/h5,8H,1-3H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)ethenethiol?
1-(1,3-dioxolan-2-yl)ethenethiol has a molecular weight of 132.18 g/mol, XLogP of 0.80, 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)ethenethiol is sourced from PubChem (CID 129121379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).