2-ethenylsulfanylpyrimidine

C6H6N2S — CID 11789271

IUPAC2-ethenylsulfanylpyrimidine
SMILESC=CSc1ncccn1
InChIInChI=1S/C6H6N2S/c1-2-9-6-7-4-3-5-8-6/h2-5H,1H2
InChIKeyNJRKPDOYRXMXAT-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.71
Rot. Bonds2

About 2-ethenylsulfanylpyrimidine

2-ethenylsulfanylpyrimidine (PubChem CID 11789271) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-ethenylsulfanylpyrimidine
PubChem CID11789271
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name2-ethenylsulfanylpyrimidine
SMILESC=CSc1ncccn1
InChIInChI=1S/C6H6N2S/c1-2-9-6-7-4-3-5-8-6/h2-5H,1H2
InChIKeyNJRKPDOYRXMXAT-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
N-methylpyrimidin-2-amine
CID 265776
(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
2-Methoxypyrimidine
CID 136730
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
4-Chloro-2-methylthiopyrimidine
CID 97113
2-Iodopyrimidine
CID 11356200
2-Methylpyrimidine
CID 78748

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylpyrimidine?
The IUPAC name of 2-ethenylsulfanylpyrimidine (CID 11789271) is 2-ethenylsulfanylpyrimidine.
What is the SMILES notation for 2-ethenylsulfanylpyrimidine?
The canonical SMILES for 2-ethenylsulfanylpyrimidine is C=CSc1ncccn1.
What is the InChIKey of 2-ethenylsulfanylpyrimidine?
The InChIKey is NJRKPDOYRXMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-2-9-6-7-4-3-5-8-6/h2-5H,1H2.
What are the key properties of 2-ethenylsulfanylpyrimidine?
2-ethenylsulfanylpyrimidine has a molecular weight of 138.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylpyrimidine is sourced from PubChem (CID 11789271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).