6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine

C15H10Cl2N2S — CID 106948836

IUPAC6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
SMILESNc1c(Sc2ccc(Cl)c(Cl)c2)ccc2cnccc12
InChIInChI=1S/C15H10Cl2N2S/c16-12-3-2-10(7-13(12)17)20-14-4-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2
InChIKeyJLWGGZZVIGUDNB-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.28
Rot. Bonds2

About 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine

6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine (PubChem CID 106948836) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
PubChem CID106948836
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
SMILESNc1c(Sc2ccc(Cl)c(Cl)c2)ccc2cnccc12
InChIInChI=1S/C15H10Cl2N2S/c16-12-3-2-10(7-13(12)17)20-14-4-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2
InChIKeyJLWGGZZVIGUDNB-UHFFFAOYSA-N
XLogP5.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
CID 106948786
6-[(4-chlorophenyl)methylsulfanyl]isoquinolin-5-amine
CID 106948852
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
CID 106948847
6-propylsulfanylisoquinolin-5-amine
CID 106948782
5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106948830
3-(5-aminoisoquinolin-6-yl)sulfanylpropan-1-ol
CID 106948839
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
6-chloroisoquinolin-5-ol
CID 115015519
6-N-(4-chloro-3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947792
2-amino-6-(3,4-dichlorophenyl)sulfanyl-3-fluorobenzoic acid
CID 83207330
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
3,8-phenanthroline
CID 13064691

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine (CID 106948836) is 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine is Nc1c(Sc2ccc(Cl)c(Cl)c2)ccc2cnccc12.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine?
The InChIKey is JLWGGZZVIGUDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-12-3-2-10(7-13(12)17)20-14-4-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2.
What are the key properties of 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine?
6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine has a molecular weight of 321.23 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine is sourced from PubChem (CID 106948836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).