N-(4-bromo-2,6-dichlorophenyl)thian-4-amine

C11H12BrCl2NS — CID 43511379

IUPACN-(4-bromo-2,6-dichlorophenyl)thian-4-amine
SMILESClc1cc(Br)cc(Cl)c1NC1CCSCC1
InChIInChI=1S/C11H12BrCl2NS/c12-7-5-9(13)11(10(14)6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2
InChIKeyXPIYNUCLJZHYFA-UHFFFAOYSA-N
MW341.10 g/mol
LogP5.06
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)thian-4-amine

N-(4-bromo-2,6-dichlorophenyl)thian-4-amine (PubChem CID 43511379) has the molecular formula C11H12BrCl2NS and a molecular weight of 341.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)thian-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)thian-4-amine
PubChem CID43511379
Molecular FormulaC11H12BrCl2NS
Molecular Weight341.10 g/mol
Exact Mass338.93
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)thian-4-amine
SMILESClc1cc(Br)cc(Cl)c1NC1CCSCC1
InChIInChI=1S/C11H12BrCl2NS/c12-7-5-9(13)11(10(14)6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2
InChIKeyXPIYNUCLJZHYFA-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.10
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-(2,6-dibromo-4-methylphenyl)thian-4-amine
CID 43511376
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
N-(3-bromo-4-chlorophenyl)thian-4-amine
CID 75356399
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
N-(2-bromo-4-chlorophenyl)thian-4-amine
CID 81263833
4-bromo-2,6-dichloro-N-(3,3-dimethylcyclopentyl)aniline
CID 80692270
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-(2-chloro-4-fluorophenyl)thian-4-amine
CID 43511380
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)thian-4-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)thian-4-amine (CID 43511379) is N-(4-bromo-2,6-dichlorophenyl)thian-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)thian-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)thian-4-amine is Clc1cc(Br)cc(Cl)c1NC1CCSCC1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)thian-4-amine?
The InChIKey is XPIYNUCLJZHYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NS/c12-7-5-9(13)11(10(14)6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)thian-4-amine?
N-(4-bromo-2,6-dichlorophenyl)thian-4-amine has a molecular weight of 341.10 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)thian-4-amine is sourced from PubChem (CID 43511379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).