ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate

C16H14O3S — CID 164523302

IUPACethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate
SMILESCCOC(=O)C1C=Cc2cc3ccccc3cc2S1=O
InChIInChI=1S/C16H14O3S/c1-2-19-16(17)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)20(14)18/h3-10,14H,2H2,1H3
InChIKeyGKKXQEMEGXNLMS-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.91
Rot. Bonds2

About ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate

ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate (PubChem CID 164523302) has the molecular formula C16H14O3S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate
PubChem CID164523302
Molecular FormulaC16H14O3S
Molecular Weight286.35 g/mol
Exact Mass286.07
IUPAC Nameethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate
SMILESCCOC(=O)C1C=Cc2cc3ccccc3cc2S1=O
InChIInChI=1S/C16H14O3S/c1-2-19-16(17)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)20(14)18/h3-10,14H,2H2,1H3
InChIKeyGKKXQEMEGXNLMS-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracene;ethyl carbamate
CID 174381530
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide
CID 169090020
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
N-[2-[[4-(chloromethyl)phenyl]methyl]octyl]-1-oxo-2H-benzo[g]thiochromen-2-amine
CID 141442348
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598

Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate?
The IUPAC name of ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate (CID 164523302) is ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate.
What is the SMILES notation for ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate?
The canonical SMILES for ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate is CCOC(=O)C1C=Cc2cc3ccccc3cc2S1=O.
What is the InChIKey of ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate?
The InChIKey is GKKXQEMEGXNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3S/c1-2-19-16(17)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)20(14)18/h3-10,14H,2H2,1H3.
What are the key properties of ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate?
ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate is sourced from PubChem (CID 164523302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).