2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate

C17H14O5S — CID 87217064

IUPAC2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate
SMILESO=C(COc1ccc2oc3ccccc3c(=S)c2c1)OCCO
InChIInChI=1S/C17H14O5S/c18-7-8-20-16(19)10-21-11-5-6-15-13(9-11)17(23)12-3-1-2-4-14(12)22-15/h1-6,9,18H,7-8,10H2
InChIKeyLIFMTCWYSLBQKL-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.23
Rot. Bonds5

About 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate

2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate (PubChem CID 87217064) has the molecular formula C17H14O5S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate
PubChem CID87217064
Molecular FormulaC17H14O5S
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate
SMILESO=C(COc1ccc2oc3ccccc3c(=S)c2c1)OCCO
InChIInChI=1S/C17H14O5S/c18-7-8-20-16(19)10-21-11-5-6-15-13(9-11)17(23)12-3-1-2-4-14(12)22-15/h1-6,9,18H,7-8,10H2
InChIKeyLIFMTCWYSLBQKL-UHFFFAOYSA-N
XLogP3.23
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate 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

2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
CID 27690137
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830
2-dibenzofuran-3-yloxyethanamine
CID 18615231
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
2-(6-bromohexoxy)dibenzofuran
CID 102246595
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
CID 46671265
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate?
The IUPAC name of 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate (CID 87217064) is 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate.
What is the SMILES notation for 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate?
The canonical SMILES for 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate is O=C(COc1ccc2oc3ccccc3c(=S)c2c1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate?
The InChIKey is LIFMTCWYSLBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5S/c18-7-8-20-16(19)10-21-11-5-6-15-13(9-11)17(23)12-3-1-2-4-14(12)22-15/h1-6,9,18H,7-8,10H2.
What are the key properties of 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate?
2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate has a molecular weight of 330.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(9-sulfanylidenexanthen-2-yl)oxyacetate is sourced from PubChem (CID 87217064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).