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

C10H13Cl2N3S — CID 62868572

IUPAC2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
SMILESCC1CCCC(Sc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C10H13Cl2N3S/c1-6-3-2-4-7(5-6)16-10-14-8(11)13-9(12)15-10/h6-7H,2-5H2,1H3
InChIKeyVXYMRSSOJKOWOY-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.85
Rot. Bonds2

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

2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine (PubChem CID 62868572) has the molecular formula C10H13Cl2N3S and a molecular weight of 278.21 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
PubChem CID62868572
Molecular FormulaC10H13Cl2N3S
Molecular Weight278.21 g/mol
Exact Mass277.02
IUPAC Name2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
SMILESCC1CCCC(Sc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C10H13Cl2N3S/c1-6-3-2-4-7(5-6)16-10-14-8(11)13-9(12)15-10/h6-7H,2-5H2,1H3
InChIKeyVXYMRSSOJKOWOY-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine (CID 62868572) is 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine is CC1CCCC(Sc2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
The InChIKey is VXYMRSSOJKOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3S/c1-6-3-2-4-7(5-6)16-10-14-8(11)13-9(12)15-10/h6-7H,2-5H2,1H3.
What are the key properties of 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine?
2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine has a molecular weight of 278.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 62868572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).