4-chlorothiophen-3-ol

C4H3ClOS — CID 69333411

IUPAC4-chlorothiophen-3-ol
SMILESOc1cscc1Cl
InChIInChI=1S/C4H3ClOS/c5-3-1-7-2-4(3)6/h1-2,6H
InChIKeyYHEPWSPVLUEHIA-UHFFFAOYSA-N
MW134.59 g/mol
LogP2.11
Rot. Bonds

About 4-chlorothiophen-3-ol

4-chlorothiophen-3-ol (PubChem CID 69333411) has the molecular formula C4H3ClOS and a molecular weight of 134.59 g/mol. Its IUPAC name is 4-chlorothiophen-3-ol.

Molecular Properties

Compound Name4-chlorothiophen-3-ol
PubChem CID69333411
Molecular FormulaC4H3ClOS
Molecular Weight134.59 g/mol
Exact Mass133.96
IUPAC Name4-chlorothiophen-3-ol
SMILESOc1cscc1Cl
InChIInChI=1S/C4H3ClOS/c5-3-1-7-2-4(3)6/h1-2,6H
InChIKeyYHEPWSPVLUEHIA-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.59
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothiophen-3-ol?
The IUPAC name of 4-chlorothiophen-3-ol (CID 69333411) is 4-chlorothiophen-3-ol.
What is the SMILES notation for 4-chlorothiophen-3-ol?
The canonical SMILES for 4-chlorothiophen-3-ol is Oc1cscc1Cl.
What is the InChIKey of 4-chlorothiophen-3-ol?
The InChIKey is YHEPWSPVLUEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClOS/c5-3-1-7-2-4(3)6/h1-2,6H.
What are the key properties of 4-chlorothiophen-3-ol?
4-chlorothiophen-3-ol has a molecular weight of 134.59 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothiophen-3-ol is sourced from PubChem (CID 69333411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).