2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine

C11H16ClN3OS — CID 55124271

IUPAC2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C11H16ClN3OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3
InChIKeyRMFGFPLFGJLZCG-UHFFFAOYSA-N
MW273.79 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine

2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine (PubChem CID 55124271) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
PubChem CID55124271
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C11H16ClN3OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3
InChIKeyRMFGFPLFGJLZCG-UHFFFAOYSA-N
XLogP3.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine (CID 55124271) is 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine is COc1nc(Cl)nc(SC2CCCC(C)C2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The InChIKey is RMFGFPLFGJLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7-4-3-5-8(6-7)17-11-14-9(12)13-10(15-11)16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine has a molecular weight of 273.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 55124271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).