4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine

C7H9ClN2S2 — CID 80545990

IUPAC4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
SMILESCCSc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H9ClN2S2/c1-3-12-6-4-5(8)9-7(10-6)11-2/h4H,3H2,1-2H3
InChIKeyADARMLXNZJUICQ-UHFFFAOYSA-N
MW220.75 g/mol
LogP2.96
Rot. Bonds3

About 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine

4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine (PubChem CID 80545990) has the molecular formula C7H9ClN2S2 and a molecular weight of 220.75 g/mol. Its IUPAC name is 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
PubChem CID80545990
Molecular FormulaC7H9ClN2S2
Molecular Weight220.75 g/mol
Exact Mass219.99
IUPAC Name4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
SMILESCCSc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H9ClN2S2/c1-3-12-6-4-5(8)9-7(10-6)11-2/h4H,3H2,1-2H3
InChIKeyADARMLXNZJUICQ-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.75
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine (CID 80545990) is 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine is CCSc1cc(Cl)nc(SC)n1.
What is the InChIKey of 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine?
The InChIKey is ADARMLXNZJUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S2/c1-3-12-6-4-5(8)9-7(10-6)11-2/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine?
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine has a molecular weight of 220.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80545990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).