propa-1,2-diene;thiophene-2,3-diol

C7H8O2S — CID 174860397

IUPACpropa-1,2-diene;thiophene-2,3-diol
SMILESC=C=C.Oc1ccsc1O
InChIInChI=1S/C4H4O2S.C3H4/c5-3-1-2-7-4(3)6;1-3-2/h1-2,5-6H;1-2H2
InChIKeyYRIQQZMOPCXEKD-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.12
Rot. Bonds

About propa-1,2-diene;thiophene-2,3-diol

propa-1,2-diene;thiophene-2,3-diol (PubChem CID 174860397) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is propa-1,2-diene;thiophene-2,3-diol.

Molecular Properties

Compound Namepropa-1,2-diene;thiophene-2,3-diol
PubChem CID174860397
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Namepropa-1,2-diene;thiophene-2,3-diol
SMILESC=C=C.Oc1ccsc1O
InChIInChI=1S/C4H4O2S.C3H4/c5-3-1-2-7-4(3)6;1-3-2/h1-2,5-6H;1-2H2
InChIKeyYRIQQZMOPCXEKD-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propa-1,2-diene;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 propa-1,2-diene;thiophene-2,3-diol?
The IUPAC name of propa-1,2-diene;thiophene-2,3-diol (CID 174860397) is propa-1,2-diene;thiophene-2,3-diol.
What is the SMILES notation for propa-1,2-diene;thiophene-2,3-diol?
The canonical SMILES for propa-1,2-diene;thiophene-2,3-diol is C=C=C.Oc1ccsc1O.
What is the InChIKey of propa-1,2-diene;thiophene-2,3-diol?
The InChIKey is YRIQQZMOPCXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2S.C3H4/c5-3-1-2-7-4(3)6;1-3-2/h1-2,5-6H;1-2H2.
What are the key properties of propa-1,2-diene;thiophene-2,3-diol?
propa-1,2-diene;thiophene-2,3-diol has a molecular weight of 156.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene;thiophene-2,3-diol is sourced from PubChem (CID 174860397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).