3-Chloro-2-[(4-methylphenyl)thio]aniline

Base Information

• Chemical Name: 3-Chloro-2-[(4-methylphenyl)thio]aniline
• CAS No.: 199803-23-1
• Molecular Formula: C13H12ClNS
• Molecular Weight: 249.75900
• European Community (EC) Number: 867-126-3
• DSSTox Substance ID: DTXSID60381685
• Wikidata: Q82172671
• Mol file: 199803-23-1.mol

Synonyms:199803-23-1;3-chloro-2-[(4-methylphenyl)thio]aniline;3-chloro-2-[(4-methylphenyl)sulfanyl]aniline;3-Chloro-2-(p-tolylthio)aniline;3-chloro-2-(4-methylphenyl)sulfanylaniline;Benzenamine, 3-chloro-2-[(4-methylphenyl)thio]-;SCHEMBL4763015;DTXSID60381685;SNUKATAODXKQMW-UHFFFAOYSA-N;3-chloro-2-(p-tolylthio)benzenamine;MFCD00126509;AKOS008105043;SB81154;CS-0263233;EN300-85693;Z330802972

Chemical Property of 3-Chloro-2-[(4-methylphenyl)thio]aniline

Chemical Property:

• PSA: 51.32000
• LogP: 4.96300
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.0378983
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

3-CHLORO-2-[(4-METHYLPHENYL)THIO]ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C=CC=C2Cl)N