3-prop-2-enylthiophen-2-ol

C7H8OS — CID 69448623

IUPAC3-prop-2-enylthiophen-2-ol
SMILESC=CCc1ccsc1O
InChIInChI=1S/C7H8OS/c1-2-3-6-4-5-9-7(6)8/h2,4-5,8H,1,3H2
InChIKeyWKSCERATHLCMQM-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.18
Rot. Bonds2

About 3-prop-2-enylthiophen-2-ol

3-prop-2-enylthiophen-2-ol (PubChem CID 69448623) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 3-prop-2-enylthiophen-2-ol.

Molecular Properties

Compound Name3-prop-2-enylthiophen-2-ol
PubChem CID69448623
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name3-prop-2-enylthiophen-2-ol
SMILESC=CCc1ccsc1O
InChIInChI=1S/C7H8OS/c1-2-3-6-4-5-9-7(6)8/h2,4-5,8H,1,3H2
InChIKeyWKSCERATHLCMQM-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylthiophen-2-ol?
The IUPAC name of 3-prop-2-enylthiophen-2-ol (CID 69448623) is 3-prop-2-enylthiophen-2-ol.
What is the SMILES notation for 3-prop-2-enylthiophen-2-ol?
The canonical SMILES for 3-prop-2-enylthiophen-2-ol is C=CCc1ccsc1O.
What is the InChIKey of 3-prop-2-enylthiophen-2-ol?
The InChIKey is WKSCERATHLCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-2-3-6-4-5-9-7(6)8/h2,4-5,8H,1,3H2.
What are the key properties of 3-prop-2-enylthiophen-2-ol?
3-prop-2-enylthiophen-2-ol has a molecular weight of 140.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylthiophen-2-ol is sourced from PubChem (CID 69448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).