4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine

C9H7ClN2OS2 — CID 134201984

IUPAC4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine
SMILESCS(=O)c1nc(Cl)cc(-c2cccs2)n1
InChIInChI=1S/C9H7ClN2OS2/c1-15(13)9-11-6(5-8(10)12-9)7-3-2-4-14-7/h2-5H,1H3
InChIKeyVGPOBRONZNWIKD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine

4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine (PubChem CID 134201984) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine
PubChem CID134201984
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine
SMILESCS(=O)c1nc(Cl)cc(-c2cccs2)n1
InChIInChI=1S/C9H7ClN2OS2/c1-15(13)9-11-6(5-8(10)12-9)7-3-2-4-14-7/h2-5H,1H3
InChIKeyVGPOBRONZNWIKD-UHFFFAOYSA-N
XLogP2.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine (CID 134201984) is 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine is CS(=O)c1nc(Cl)cc(-c2cccs2)n1.
What is the InChIKey of 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine?
The InChIKey is VGPOBRONZNWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c1-15(13)9-11-6(5-8(10)12-9)7-3-2-4-14-7/h2-5H,1H3.
What are the key properties of 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine?
4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfinyl-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 134201984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).