methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate

C11H10N2O2S2 — CID 3804988

IUPACmethyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nccc(-c2cccs2)n1
InChIInChI=1S/C11H10N2O2S2/c1-15-10(14)7-17-11-12-5-4-8(13-11)9-3-2-6-16-9/h2-6H,7H2,1H3
InChIKeyOFQWZTWHBUSMAR-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate

methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 3804988) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID3804988
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Namemethyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nccc(-c2cccs2)n1
InChIInChI=1S/C11H10N2O2S2/c1-15-10(14)7-17-11-12-5-4-8(13-11)9-3-2-6-16-9/h2-6H,7H2,1H3
InChIKeyOFQWZTWHBUSMAR-UHFFFAOYSA-N
XLogP2.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate (CID 3804988) is methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nccc(-c2cccs2)n1.
What is the InChIKey of methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is OFQWZTWHBUSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-15-10(14)7-17-11-12-5-4-8(13-11)9-3-2-6-16-9/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 266.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 3804988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).