Basic information
- CAS
22865-52-7- Standard SMILES
Cc1ccc(Sc2ccc(N)cc2)cc1- InChIKey
AJSXOVAGVRPACZ-UHFFFAOYSA-N- Molecular formula
- C13H13NS
- Average molar mass
- 215.32 g/mol
- Monoisotopic mass
- 215.07687059
Names & identifiers
- Preferred name
- 4-[(4-Methylphenyl)sulfanyl]aniline
- IUPAC
- 4-(4-methylphenyl)sulfanylaniline
- English name
- 4-[(4-Methylphenyl)sulfanyl]aniline
- Molecular formula
- C13H13NS
- Molecular weight
- 215.31
Names & synonyms
22865-52-74-[(4-methylphenyl)sulfanyl]aniline4-(p-Tolylthio)aniline4-[(4-Methylphenyl)thio]aniline4-(4-methylphenyl)sulfanylanilineMFCD001720824-(p-tolylsulfanyl)anilinep-(p-Tolylmercapto)anilineOprea1_4226534-p-Tolylsulfanyl-phenylamineSCHEMBL40985004-(4-methylthiophenoxy)-aniline
Show more names
4-[(4-Methylphenyl)thio]benzenamineBenzenamine, 4-[(4-methylphenyl)thio]-4-[(4-methylphenyl)sulfanyl]phenylamine
DTXSID903326404-(4-methylphenylthio)phenylamineAJSXOVAGVRPACZ-UHFFFAOYSA-NSBB051717AKOS0002154798G-376SSB79217FM170009
Database identifiers
- CAS
22865-52-7- PubChem CID
- 459376
- DTXSID
DTXSID90332640- Nikkaji
- J2.939.064I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 73 · 73-75,5°C
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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