4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine

C10H12N2S2 — CID 4825874

IUPAC4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine
SMILESCCC(C)Sc1ncnc2sccc12
InChIInChI=1S/C10H12N2S2/c1-3-7(2)14-10-8-4-5-13-9(8)11-6-12-10/h4-7H,3H2,1-2H3
InChIKeyMKJOWVWNZUDYBD-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.58
Rot. Bonds3

About 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine

4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 4825874) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine
PubChem CID4825874
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine
SMILESCCC(C)Sc1ncnc2sccc12
InChIInChI=1S/C10H12N2S2/c1-3-7(2)14-10-8-4-5-13-9(8)11-6-12-10/h4-7H,3H2,1-2H3
InChIKeyMKJOWVWNZUDYBD-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine (CID 4825874) is 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine is CCC(C)Sc1ncnc2sccc12.
What is the InChIKey of 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is MKJOWVWNZUDYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-3-7(2)14-10-8-4-5-13-9(8)11-6-12-10/h4-7H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine?
4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 224.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4825874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).