5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline

C12H8Cl3NS — CID 29298573

IUPAC5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl3NS/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H,16H2
InChIKeyJAGZNJKHFJCFMI-UHFFFAOYSA-N
MW304.63 g/mol
LogP5.38
Rot. Bonds2

About 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline

5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline (PubChem CID 29298573) has the molecular formula C12H8Cl3NS and a molecular weight of 304.63 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
PubChem CID29298573
Molecular FormulaC12H8Cl3NS
Molecular Weight304.63 g/mol
Exact Mass302.94
IUPAC Name5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl3NS/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H,16H2
InChIKeyJAGZNJKHFJCFMI-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.63
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline (CID 29298573) is 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline is Nc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline?
The InChIKey is JAGZNJKHFJCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NS/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H,16H2.
What are the key properties of 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline?
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline has a molecular weight of 304.63 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline is sourced from PubChem (CID 29298573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).