2-ethylsulfanylpyrimidine

C6H8N2S — CID 12764701

IUPAC2-ethylsulfanylpyrimidine
SMILESCCSc1ncccn1
InChIInChI=1S/C6H8N2S/c1-2-9-6-7-4-3-5-8-6/h3-5H,2H2,1H3
InChIKeyNEHWMOKJEUOJQR-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.59
Rot. Bonds2

About 2-ethylsulfanylpyrimidine

2-ethylsulfanylpyrimidine (PubChem CID 12764701) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethylsulfanylpyrimidine.

Molecular Properties

Compound Name2-ethylsulfanylpyrimidine
PubChem CID12764701
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-ethylsulfanylpyrimidine
SMILESCCSc1ncccn1
InChIInChI=1S/C6H8N2S/c1-2-9-6-7-4-3-5-8-6/h3-5H,2H2,1H3
InChIKeyNEHWMOKJEUOJQR-UHFFFAOYSA-N
XLogP1.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpyrimidine?
The IUPAC name of 2-ethylsulfanylpyrimidine (CID 12764701) is 2-ethylsulfanylpyrimidine.
What is the SMILES notation for 2-ethylsulfanylpyrimidine?
The canonical SMILES for 2-ethylsulfanylpyrimidine is CCSc1ncccn1.
What is the InChIKey of 2-ethylsulfanylpyrimidine?
The InChIKey is NEHWMOKJEUOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-9-6-7-4-3-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanylpyrimidine?
2-ethylsulfanylpyrimidine has a molecular weight of 140.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpyrimidine is sourced from PubChem (CID 12764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).