2-chloro-6-(2-methylphenyl)sulfanylaniline

C13H12ClNS — CID 104835582

IUPAC2-chloro-6-(2-methylphenyl)sulfanylaniline
SMILESCc1ccccc1Sc1cccc(Cl)c1N
InChIInChI=1S/C13H12ClNS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(14)13(12)15/h2-8H,15H2,1H3
InChIKeyNRUGTFOLNCMWSA-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.38
Rot. Bonds2

About 2-chloro-6-(2-methylphenyl)sulfanylaniline

2-chloro-6-(2-methylphenyl)sulfanylaniline (PubChem CID 104835582) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 2-chloro-6-(2-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-chloro-6-(2-methylphenyl)sulfanylaniline
PubChem CID104835582
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name2-chloro-6-(2-methylphenyl)sulfanylaniline
SMILESCc1ccccc1Sc1cccc(Cl)c1N
InChIInChI=1S/C13H12ClNS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(14)13(12)15/h2-8H,15H2,1H3
InChIKeyNRUGTFOLNCMWSA-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.38
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-[(2,6-Dichlorobenzyl)thio]aniline
CID 2818587
2-[(2-Chlorobenzyl)thio]aniline
CID 2818593
3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline
CID 2780659
2-[(4-Chlorobenzyl)thio]aniline
CID 4335831
5-Chloro-2-((2,4-dimethylphenyl)sulfanyl)aniline
CID 2492454
2-[(3-Chloro-2-fluorophenyl)methylsulfanyl]aniline
CID 2741297
2-Chloro-6-phenylsulfanylaniline
CID 68789073
6-Chloro-2-methylsulfanyl-3-(trifluoromethyl)aniline
CID 20332855
2-Chloro-4-(4-fluorophenyl)sulfanyl-5-methylaniline
CID 57658527
6-Chloro-2-methylsulfanyl-3-(trifluoromethyl)aniline;methane
CID 174927019
o-(o-Tolylmercapto)aniline
CID 459373
2-Chloro-6-(methylthio)aniline
CID 640702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylphenyl)sulfanylaniline?
The IUPAC name of 2-chloro-6-(2-methylphenyl)sulfanylaniline (CID 104835582) is 2-chloro-6-(2-methylphenyl)sulfanylaniline.
What is the SMILES notation for 2-chloro-6-(2-methylphenyl)sulfanylaniline?
The canonical SMILES for 2-chloro-6-(2-methylphenyl)sulfanylaniline is Cc1ccccc1Sc1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-(2-methylphenyl)sulfanylaniline?
The InChIKey is NRUGTFOLNCMWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(14)13(12)15/h2-8H,15H2,1H3.
What are the key properties of 2-chloro-6-(2-methylphenyl)sulfanylaniline?
2-chloro-6-(2-methylphenyl)sulfanylaniline has a molecular weight of 249.77 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylphenyl)sulfanylaniline is sourced from PubChem (CID 104835582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).