methyl 2-quinazolin-4-ylsulfanylacetate

C11H10N2O2S — CID 2513843

IUPACmethyl 2-quinazolin-4-ylsulfanylacetate
SMILESCOC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)6-16-11-8-4-2-3-5-9(8)12-7-13-11/h2-5,7H,6H2,1H3
InChIKeyCSWLJKXXJYPPTB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-quinazolin-4-ylsulfanylacetate

methyl 2-quinazolin-4-ylsulfanylacetate (PubChem CID 2513843) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 2-quinazolin-4-ylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-quinazolin-4-ylsulfanylacetate
PubChem CID2513843
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-quinazolin-4-ylsulfanylacetate
SMILESCOC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)6-16-11-8-4-2-3-5-9(8)12-7-13-11/h2-5,7H,6H2,1H3
InChIKeyCSWLJKXXJYPPTB-UHFFFAOYSA-N
XLogP1.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-quinazolin-4-ylsulfanylacetate?
The IUPAC name of methyl 2-quinazolin-4-ylsulfanylacetate (CID 2513843) is methyl 2-quinazolin-4-ylsulfanylacetate.
What is the SMILES notation for methyl 2-quinazolin-4-ylsulfanylacetate?
The canonical SMILES for methyl 2-quinazolin-4-ylsulfanylacetate is COC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of methyl 2-quinazolin-4-ylsulfanylacetate?
The InChIKey is CSWLJKXXJYPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10(14)6-16-11-8-4-2-3-5-9(8)12-7-13-11/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-quinazolin-4-ylsulfanylacetate?
methyl 2-quinazolin-4-ylsulfanylacetate has a molecular weight of 234.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinazolin-4-ylsulfanylacetate is sourced from PubChem (CID 2513843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).