2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine

C9H14ClN3OS — CID 62858908

IUPAC2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SCC(C)C)n1
InChIInChI=1S/C9H14ClN3OS/c1-4-14-8-11-7(10)12-9(13-8)15-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyKKQNUBUSXPSFRO-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine (PubChem CID 62858908) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine
PubChem CID62858908
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SCC(C)C)n1
InChIInChI=1S/C9H14ClN3OS/c1-4-14-8-11-7(10)12-9(13-8)15-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyKKQNUBUSXPSFRO-UHFFFAOYSA-N
XLogP2.67
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine (CID 62858908) is 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine is CCOc1nc(Cl)nc(SCC(C)C)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The InChIKey is KKQNUBUSXPSFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-4-14-8-11-7(10)12-9(13-8)15-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine has a molecular weight of 247.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(2-methylpropylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 62858908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).