4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine

C10H8Cl2N4S — CID 2818557

IUPAC4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(SCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H8Cl2N4S/c11-7-2-1-3-8(12)6(7)4-17-10-15-5-14-9(13)16-10/h1-3,5H,4H2,(H2,13,14,15,16)
InChIKeyADCUKLIHSHGORF-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.05
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine

4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine (PubChem CID 2818557) has the molecular formula C10H8Cl2N4S and a molecular weight of 287.18 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine
PubChem CID2818557
Molecular FormulaC10H8Cl2N4S
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(SCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H8Cl2N4S/c11-7-2-1-3-8(12)6(7)4-17-10-15-5-14-9(13)16-10/h1-3,5H,4H2,(H2,13,14,15,16)
InChIKeyADCUKLIHSHGORF-UHFFFAOYSA-N
XLogP3.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-6-chlorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 55242063
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
3-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 63746301
4-(3,5-dichlorophenoxy)-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine
CID 3814630
2-[(2,6-dichlorophenyl)methylsulfanyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1473241
2-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10221995
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
CID 19727760
3-bromo-4-[(2,6-dichlorophenyl)methylsulfanyl]aniline
CID 82840673
1-benzyl-4-[(2,6-dichlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 2045522
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 23914223

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine (CID 2818557) is 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine is Nc1ncnc(SCc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is ADCUKLIHSHGORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4S/c11-7-2-1-3-8(12)6(7)4-17-10-15-5-14-9(13)16-10/h1-3,5H,4H2,(H2,13,14,15,16).
What are the key properties of 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 287.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 2818557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).