ethene-1,1,2-trithiol

C2H4S3 — CID 13198783

IUPACethene-1,1,2-trithiol
SMILESSC=C(S)S
InChIInChI=1S/C2H4S3/c3-1-2(4)5/h1,3-5H
InChIKeyLNZMBWFXXMVUQM-UHFFFAOYSA-N
MW124.25 g/mol
LogP1.57
Rot. Bonds

About ethene-1,1,2-trithiol

ethene-1,1,2-trithiol (PubChem CID 13198783) has the molecular formula C2H4S3 and a molecular weight of 124.25 g/mol. Its IUPAC name is ethene-1,1,2-trithiol.

Molecular Properties

Compound Nameethene-1,1,2-trithiol
PubChem CID13198783
Molecular FormulaC2H4S3
Molecular Weight124.25 g/mol
Exact Mass123.95
IUPAC Nameethene-1,1,2-trithiol
SMILESSC=C(S)S
InChIInChI=1S/C2H4S3/c3-1-2(4)5/h1,3-5H
InChIKeyLNZMBWFXXMVUQM-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.25
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene-1,1,2-trithiol 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 ethene-1,1,2-trithiol?
The IUPAC name of ethene-1,1,2-trithiol (CID 13198783) is ethene-1,1,2-trithiol.
What is the SMILES notation for ethene-1,1,2-trithiol?
The canonical SMILES for ethene-1,1,2-trithiol is SC=C(S)S.
What is the InChIKey of ethene-1,1,2-trithiol?
The InChIKey is LNZMBWFXXMVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S3/c3-1-2(4)5/h1,3-5H.
What are the key properties of ethene-1,1,2-trithiol?
ethene-1,1,2-trithiol has a molecular weight of 124.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,1,2-trithiol is sourced from PubChem (CID 13198783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).