2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile

C10H9N3S2 — CID 2203207

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
SMILESCCc1cc2c(SCC#N)ncnc2s1
InChIInChI=1S/C10H9N3S2/c1-2-7-5-8-9(14-4-3-11)12-6-13-10(8)15-7/h5-6H,2,4H2,1H3
InChIKeyFDBOPXHOMCJBFE-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.87
Rot. Bonds3

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile (PubChem CID 2203207) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
PubChem CID2203207
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
SMILESCCc1cc2c(SCC#N)ncnc2s1
InChIInChI=1S/C10H9N3S2/c1-2-7-5-8-9(14-4-3-11)12-6-13-10(8)15-7/h5-6H,2,4H2,1H3
InChIKeyFDBOPXHOMCJBFE-UHFFFAOYSA-N
XLogP2.87
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile (CID 2203207) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile is CCc1cc2c(SCC#N)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The InChIKey is FDBOPXHOMCJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-2-7-5-8-9(14-4-3-11)12-6-13-10(8)15-7/h5-6H,2,4H2,1H3.
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile has a molecular weight of 235.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile is sourced from PubChem (CID 2203207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).