methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate

C10H10N2O2S2 — CID 2777588

IUPACmethyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2c(C)csc12
InChIInChI=1S/C10H10N2O2S2/c1-6-3-15-9-8(6)11-5-12-10(9)16-4-7(13)14-2/h3,5H,4H2,1-2H3
InChIKeyDJOSLIPUXGYBQR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate

methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 2777588) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID2777588
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Namemethyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2c(C)csc12
InChIInChI=1S/C10H10N2O2S2/c1-6-3-15-9-8(6)11-5-12-10(9)16-4-7(13)14-2/h3,5H,4H2,1-2H3
InChIKeyDJOSLIPUXGYBQR-UHFFFAOYSA-N
XLogP2.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate (CID 2777588) is methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1ncnc2c(C)csc12.
What is the InChIKey of methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is DJOSLIPUXGYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-6-3-15-9-8(6)11-5-12-10(9)16-4-7(13)14-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate?
methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 254.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 2777588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).