5-chloro-2-(3-chlorophenyl)sulfanylaniline

C12H9Cl2NS — CID 3026812

IUPAC5-chloro-2-(3-chlorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NS/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2
InChIKeyVNRBQTXPFAIXMO-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.73
Rot. Bonds2

About 5-chloro-2-(3-chlorophenyl)sulfanylaniline

5-chloro-2-(3-chlorophenyl)sulfanylaniline (PubChem CID 3026812) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)sulfanylaniline
PubChem CID3026812
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name5-chloro-2-(3-chlorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NS/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2
InChIKeyVNRBQTXPFAIXMO-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)sulfanyl-4-fluoro-5-iodoaniline
CID 66101162
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
5-amino-2-(3-chlorophenyl)sulfanylbenzonitrile
CID 62648115
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
2-(3-chlorophenyl)sulfanylbenzenethiol
CID 57165343
5-amino-2-(3-chlorophenyl)sulfanylbenzoic acid
CID 62646131
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)sulfanylaniline (CID 3026812) is 5-chloro-2-(3-chlorophenyl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)sulfanylaniline is Nc1cc(Cl)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)sulfanylaniline?
The InChIKey is VNRBQTXPFAIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2.
What are the key properties of 5-chloro-2-(3-chlorophenyl)sulfanylaniline?
5-chloro-2-(3-chlorophenyl)sulfanylaniline has a molecular weight of 270.18 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)sulfanylaniline is sourced from PubChem (CID 3026812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).