2-methylsulfanyl-4-thiophen-3-ylpyrimidine

C9H8N2S2 — CID 2820656

IUPAC2-methylsulfanyl-4-thiophen-3-ylpyrimidine
SMILESCSc1nccc(-c2ccsc2)n1
InChIInChI=1S/C9H8N2S2/c1-12-9-10-4-2-8(11-9)7-3-5-13-6-7/h2-6H,1H3
InChIKeyPITDXEUQBUNWLJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.93
Rot. Bonds2

About 2-methylsulfanyl-4-thiophen-3-ylpyrimidine

2-methylsulfanyl-4-thiophen-3-ylpyrimidine (PubChem CID 2820656) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methylsulfanyl-4-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-thiophen-3-ylpyrimidine
PubChem CID2820656
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name2-methylsulfanyl-4-thiophen-3-ylpyrimidine
SMILESCSc1nccc(-c2ccsc2)n1
InChIInChI=1S/C9H8N2S2/c1-12-9-10-4-2-8(11-9)7-3-5-13-6-7/h2-6H,1H3
InChIKeyPITDXEUQBUNWLJ-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-thiophen-3-ylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4-thiophen-3-ylpyrimidine (CID 2820656) is 2-methylsulfanyl-4-thiophen-3-ylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-thiophen-3-ylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-thiophen-3-ylpyrimidine is CSc1nccc(-c2ccsc2)n1.
What is the InChIKey of 2-methylsulfanyl-4-thiophen-3-ylpyrimidine?
The InChIKey is PITDXEUQBUNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-12-9-10-4-2-8(11-9)7-3-5-13-6-7/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-4-thiophen-3-ylpyrimidine?
2-methylsulfanyl-4-thiophen-3-ylpyrimidine has a molecular weight of 208.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-thiophen-3-ylpyrimidine is sourced from PubChem (CID 2820656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).