4-ethyl-7-methoxychromene-2-thione

C12H12O2S — CID 39732354

IUPAC4-ethyl-7-methoxychromene-2-thione
SMILESCCc1cc(=S)oc2cc(OC)ccc12
InChIInChI=1S/C12H12O2S/c1-3-8-6-12(15)14-11-7-9(13-2)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyXIJSNRFLKFTTRD-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.73
Rot. Bonds2

About 4-ethyl-7-methoxychromene-2-thione

4-ethyl-7-methoxychromene-2-thione (PubChem CID 39732354) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-ethyl-7-methoxychromene-2-thione.

Molecular Properties

Compound Name4-ethyl-7-methoxychromene-2-thione
PubChem CID39732354
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name4-ethyl-7-methoxychromene-2-thione
SMILESCCc1cc(=S)oc2cc(OC)ccc12
InChIInChI=1S/C12H12O2S/c1-3-8-6-12(15)14-11-7-9(13-2)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyXIJSNRFLKFTTRD-UHFFFAOYSA-N
XLogP3.73
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-4-ethylchromene-2-thione
CID 162436645
2-ethyl-7-methoxychromen-4-one
CID 10013150
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methoxychromene-2-thione?
The IUPAC name of 4-ethyl-7-methoxychromene-2-thione (CID 39732354) is 4-ethyl-7-methoxychromene-2-thione.
What is the SMILES notation for 4-ethyl-7-methoxychromene-2-thione?
The canonical SMILES for 4-ethyl-7-methoxychromene-2-thione is CCc1cc(=S)oc2cc(OC)ccc12.
What is the InChIKey of 4-ethyl-7-methoxychromene-2-thione?
The InChIKey is XIJSNRFLKFTTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-3-8-6-12(15)14-11-7-9(13-2)4-5-10(8)11/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-methoxychromene-2-thione?
4-ethyl-7-methoxychromene-2-thione has a molecular weight of 220.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methoxychromene-2-thione is sourced from PubChem (CID 39732354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).