4-chloro-6-thiophen-2-ylsulfanylpyrimidine

C8H5ClN2S2 — CID 61279172

IUPAC4-chloro-6-thiophen-2-ylsulfanylpyrimidine
SMILESClc1cc(Sc2cccs2)ncn1
InChIInChI=1S/C8H5ClN2S2/c9-6-4-7(11-5-10-6)13-8-2-1-3-12-8/h1-5H
InChIKeyFVHYLNIUHQIDME-UHFFFAOYSA-N
MW228.73 g/mol
LogP3.34
Rot. Bonds2

About 4-chloro-6-thiophen-2-ylsulfanylpyrimidine

4-chloro-6-thiophen-2-ylsulfanylpyrimidine (PubChem CID 61279172) has the molecular formula C8H5ClN2S2 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-chloro-6-thiophen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-thiophen-2-ylsulfanylpyrimidine
PubChem CID61279172
Molecular FormulaC8H5ClN2S2
Molecular Weight228.73 g/mol
Exact Mass227.96
IUPAC Name4-chloro-6-thiophen-2-ylsulfanylpyrimidine
SMILESClc1cc(Sc2cccs2)ncn1
InChIInChI=1S/C8H5ClN2S2/c9-6-4-7(11-5-10-6)13-8-2-1-3-12-8/h1-5H
InChIKeyFVHYLNIUHQIDME-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-thiophen-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-thiophen-2-ylsulfanylpyrimidine (CID 61279172) is 4-chloro-6-thiophen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-thiophen-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-thiophen-2-ylsulfanylpyrimidine is Clc1cc(Sc2cccs2)ncn1.
What is the InChIKey of 4-chloro-6-thiophen-2-ylsulfanylpyrimidine?
The InChIKey is FVHYLNIUHQIDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S2/c9-6-4-7(11-5-10-6)13-8-2-1-3-12-8/h1-5H.
What are the key properties of 4-chloro-6-thiophen-2-ylsulfanylpyrimidine?
4-chloro-6-thiophen-2-ylsulfanylpyrimidine has a molecular weight of 228.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-thiophen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 61279172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).