ethene;thiophene-2,3-diol

C6H8O2S — CID 157343028

IUPACethene;thiophene-2,3-diol
SMILESC=C.Oc1ccsc1O
InChIInChI=1S/C4H4O2S.C2H4/c5-3-1-2-7-4(3)6;1-2/h1-2,5-6H;1-2H2
InChIKeyBGPWSKQITMRBNH-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.96
Rot. Bonds

About ethene;thiophene-2,3-diol

ethene;thiophene-2,3-diol (PubChem CID 157343028) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is ethene;thiophene-2,3-diol.

Molecular Properties

Compound Nameethene;thiophene-2,3-diol
PubChem CID157343028
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Nameethene;thiophene-2,3-diol
SMILESC=C.Oc1ccsc1O
InChIInChI=1S/C4H4O2S.C2H4/c5-3-1-2-7-4(3)6;1-2/h1-2,5-6H;1-2H2
InChIKeyBGPWSKQITMRBNH-UHFFFAOYSA-N
XLogP1.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;thiophene-2,3-diol 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;thiophene-2,3-diol?
The IUPAC name of ethene;thiophene-2,3-diol (CID 157343028) is ethene;thiophene-2,3-diol.
What is the SMILES notation for ethene;thiophene-2,3-diol?
The canonical SMILES for ethene;thiophene-2,3-diol is C=C.Oc1ccsc1O.
What is the InChIKey of ethene;thiophene-2,3-diol?
The InChIKey is BGPWSKQITMRBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2S.C2H4/c5-3-1-2-7-4(3)6;1-2/h1-2,5-6H;1-2H2.
What are the key properties of ethene;thiophene-2,3-diol?
ethene;thiophene-2,3-diol has a molecular weight of 144.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;thiophene-2,3-diol is sourced from PubChem (CID 157343028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).