methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate

C9H8N2O2S2 — CID 2808870

IUPACmethyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
SMILESCOC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C9H8N2O2S2/c1-13-7(12)4-15-9-8-6(2-3-14-8)10-5-11-9/h2-3,5H,4H2,1H3
InChIKeyHSXHNDZTWZKSMM-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate

methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate (PubChem CID 2808870) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
PubChem CID2808870
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Namemethyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
SMILESCOC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C9H8N2O2S2/c1-13-7(12)4-15-9-8-6(2-3-14-8)10-5-11-9/h2-3,5H,4H2,1H3
InChIKeyHSXHNDZTWZKSMM-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate?
The IUPAC name of methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate (CID 2808870) is methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate.
What is the SMILES notation for methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate?
The canonical SMILES for methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate is COC(=O)CSc1ncnc2ccsc12.
What is the InChIKey of methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate?
The InChIKey is HSXHNDZTWZKSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-13-7(12)4-15-9-8-6(2-3-14-8)10-5-11-9/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate?
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate has a molecular weight of 240.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate is sourced from PubChem (CID 2808870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).