5-ethenyl-2-methylsulfanylpyrimidine

C7H8N2S — CID 14148913

IUPAC5-ethenyl-2-methylsulfanylpyrimidine
SMILESC=Cc1cnc(SC)nc1
InChIInChI=1S/C7H8N2S/c1-3-6-4-8-7(10-2)9-5-6/h3-5H,1H2,2H3
InChIKeyTWGAXEUKXCXPNF-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.84
Rot. Bonds2

About 5-ethenyl-2-methylsulfanylpyrimidine

5-ethenyl-2-methylsulfanylpyrimidine (PubChem CID 14148913) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-ethenyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-methylsulfanylpyrimidine
PubChem CID14148913
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name5-ethenyl-2-methylsulfanylpyrimidine
SMILESC=Cc1cnc(SC)nc1
InChIInChI=1S/C7H8N2S/c1-3-6-4-8-7(10-2)9-5-6/h3-5H,1H2,2H3
InChIKeyTWGAXEUKXCXPNF-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylsulfanylpyrimidine?
The IUPAC name of 5-ethenyl-2-methylsulfanylpyrimidine (CID 14148913) is 5-ethenyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-ethenyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-ethenyl-2-methylsulfanylpyrimidine is C=Cc1cnc(SC)nc1.
What is the InChIKey of 5-ethenyl-2-methylsulfanylpyrimidine?
The InChIKey is TWGAXEUKXCXPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-6-4-8-7(10-2)9-5-6/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methylsulfanylpyrimidine?
5-ethenyl-2-methylsulfanylpyrimidine has a molecular weight of 152.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 14148913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).