ethyl-(2-methylsulfanylpyrimidin-4-yl)tin

C7H10N2SSn — CID 87733385

IUPACethyl-(2-methylsulfanylpyrimidin-4-yl)tin
SMILESCC[Sn]c1ccnc(SC)n1
InChIInChI=1S/C5H5N2S.C2H5.Sn/c1-8-5-6-3-2-4-7-5;1-2;/h2-3H,1H3;1H2,2H3;
InChIKeyNJIYWXBKVCQPBM-UHFFFAOYSA-N
MW272.95 g/mol
LogP0.97
Rot. Bonds3

About ethyl-(2-methylsulfanylpyrimidin-4-yl)tin

ethyl-(2-methylsulfanylpyrimidin-4-yl)tin (PubChem CID 87733385) has the molecular formula C7H10N2SSn and a molecular weight of 272.95 g/mol. Its IUPAC name is ethyl-(2-methylsulfanylpyrimidin-4-yl)tin.

Molecular Properties

Compound Nameethyl-(2-methylsulfanylpyrimidin-4-yl)tin
PubChem CID87733385
Molecular FormulaC7H10N2SSn
Molecular Weight272.95 g/mol
Exact Mass273.96
IUPAC Nameethyl-(2-methylsulfanylpyrimidin-4-yl)tin
SMILESCC[Sn]c1ccnc(SC)n1
InChIInChI=1S/C5H5N2S.C2H5.Sn/c1-8-5-6-3-2-4-7-5;1-2;/h2-3H,1H3;1H2,2H3;
InChIKeyNJIYWXBKVCQPBM-UHFFFAOYSA-N
XLogP0.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.95
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-methylsulfanylpyrimidin-4-yl)tin?
The IUPAC name of ethyl-(2-methylsulfanylpyrimidin-4-yl)tin (CID 87733385) is ethyl-(2-methylsulfanylpyrimidin-4-yl)tin.
What is the SMILES notation for ethyl-(2-methylsulfanylpyrimidin-4-yl)tin?
The canonical SMILES for ethyl-(2-methylsulfanylpyrimidin-4-yl)tin is CC[Sn]c1ccnc(SC)n1.
What is the InChIKey of ethyl-(2-methylsulfanylpyrimidin-4-yl)tin?
The InChIKey is NJIYWXBKVCQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2S.C2H5.Sn/c1-8-5-6-3-2-4-7-5;1-2;/h2-3H,1H3;1H2,2H3;.
What are the key properties of ethyl-(2-methylsulfanylpyrimidin-4-yl)tin?
ethyl-(2-methylsulfanylpyrimidin-4-yl)tin has a molecular weight of 272.95 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-methylsulfanylpyrimidin-4-yl)tin is sourced from PubChem (CID 87733385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).