4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine

C10H12N2S2 — CID 709438

IUPAC4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C10H12N2S2/c1-4-13-9-8-6(2)7(3)14-10(8)12-5-11-9/h5H,4H2,1-3H3
InChIKeyKKJMAJJKSVMOCP-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine

4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 709438) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID709438
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C10H12N2S2/c1-4-13-9-8-6(2)7(3)14-10(8)12-5-11-9/h5H,4H2,1-3H3
InChIKeyKKJMAJJKSVMOCP-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine (CID 709438) is 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine is CCSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is KKJMAJJKSVMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-4-13-9-8-6(2)7(3)14-10(8)12-5-11-9/h5H,4H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine?
4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 224.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 709438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).