4-prop-2-enoxychromene-2-thione

C12H10O2S — CID 57386888

IUPAC4-prop-2-enoxychromene-2-thione
SMILESC=CCOc1cc(=S)oc2ccccc12
InChIInChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyMEMTWQDEDUVXIJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.73
Rot. Bonds3

About 4-prop-2-enoxychromene-2-thione

4-prop-2-enoxychromene-2-thione (PubChem CID 57386888) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-prop-2-enoxychromene-2-thione.

Molecular Properties

Compound Name4-prop-2-enoxychromene-2-thione
PubChem CID57386888
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name4-prop-2-enoxychromene-2-thione
SMILESC=CCOc1cc(=S)oc2ccccc12
InChIInChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyMEMTWQDEDUVXIJ-UHFFFAOYSA-N
XLogP3.73
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxychromene-2-thione?
The IUPAC name of 4-prop-2-enoxychromene-2-thione (CID 57386888) is 4-prop-2-enoxychromene-2-thione.
What is the SMILES notation for 4-prop-2-enoxychromene-2-thione?
The canonical SMILES for 4-prop-2-enoxychromene-2-thione is C=CCOc1cc(=S)oc2ccccc12.
What is the InChIKey of 4-prop-2-enoxychromene-2-thione?
The InChIKey is MEMTWQDEDUVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2.
What are the key properties of 4-prop-2-enoxychromene-2-thione?
4-prop-2-enoxychromene-2-thione has a molecular weight of 218.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxychromene-2-thione is sourced from PubChem (CID 57386888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).