2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine

C9H7ClN2S2 — CID 79073513

IUPAC2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
SMILESCc1cnc(Cl)nc1Sc1cccs1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-11-9(10)12-8(6)14-7-3-2-4-13-7/h2-5H,1H3
InChIKeyYJQZDKIMMPVECQ-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine

2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine (PubChem CID 79073513) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
PubChem CID79073513
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
SMILESCc1cnc(Cl)nc1Sc1cccs1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-11-9(10)12-8(6)14-7-3-2-4-13-7/h2-5H,1H3
InChIKeyYJQZDKIMMPVECQ-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine (CID 79073513) is 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine is Cc1cnc(Cl)nc1Sc1cccs1.
What is the InChIKey of 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine?
The InChIKey is YJQZDKIMMPVECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c1-6-5-11-9(10)12-8(6)14-7-3-2-4-13-7/h2-5H,1H3.
What are the key properties of 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine?
2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine has a molecular weight of 242.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 79073513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).