4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine

C10H7Cl3N4S — CID 80884082

IUPAC4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H7Cl3N4S/c1-14-9-15-8(13)16-10(17-9)18-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H,14,15,16,17)
InChIKeyCHJJCYCQKYNYKS-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.02
Rot. Bonds3

About 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80884082) has the molecular formula C10H7Cl3N4S and a molecular weight of 321.62 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80884082
Molecular FormulaC10H7Cl3N4S
Molecular Weight321.62 g/mol
Exact Mass319.95
IUPAC Name4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H7Cl3N4S/c1-14-9-15-8(13)16-10(17-9)18-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H,14,15,16,17)
InChIKeyCHJJCYCQKYNYKS-UHFFFAOYSA-N
XLogP4.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine (CID 80884082) is 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CHJJCYCQKYNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4S/c1-14-9-15-8(13)16-10(17-9)18-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 321.62 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80884082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).