propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

C11H11ClN2O2S2 — CID 82316376

IUPACpropan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H11ClN2O2S2/c1-6(2)16-8(15)5-18-11-13-9(12)7-3-4-17-10(7)14-11/h3-4,6H,5H2,1-2H3
InChIKeyZAAYEZZOOMYSGJ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.39
Rot. Bonds4

About propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (PubChem CID 82316376) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
PubChem CID82316376
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Namepropan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H11ClN2O2S2/c1-6(2)16-8(15)5-18-11-13-9(12)7-3-4-17-10(7)14-11/h3-4,6H,5H2,1-2H3
InChIKeyZAAYEZZOOMYSGJ-UHFFFAOYSA-N
XLogP3.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (CID 82316376) is propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is CC(C)OC(=O)CSc1nc(Cl)c2ccsc2n1.
What is the InChIKey of propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The InChIKey is ZAAYEZZOOMYSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-6(2)16-8(15)5-18-11-13-9(12)7-3-4-17-10(7)14-11/h3-4,6H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate has a molecular weight of 302.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-chlorothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 82316376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).