Basic information
- CAS
54306-14-8- Standard SMILES
Nc1ccc(CSc2ccc(Br)cc2)cc1- InChIKey
ZHTRZAKXBXBRIV-UHFFFAOYSA-N- Molecular formula
- C13H12BrNS
- Average molar mass
- 294.21 g/mol
- Monoisotopic mass
- 292.98738
Names & identifiers
- Preferred name
- 4-(((4-Bromophenyl)sulfanyl)methyl)aniline
- IUPAC
- 4-[(4-bromophenyl)sulfanylmethyl]aniline
- English name
- 4-{[(4-Bromophenyl)sulfanyl]methyl}aniline
- Molecular formula
- C13H12BrNS
- Molecular weight
- 294.21
Names & synonyms
54306-14-84-{[(4-bromophenyl)sulfanyl]methyl}anilineDTXSID806558954-(((4-Bromophenyl)sulfanyl)methyl)anilineRefChem:1069612DTXCID806066454-(((4-Bromophenyl)thio)methyl)aniline4-[(4-bromophenyl)sulfanylmethyl]anilineMFCD11642554C13H12BrNSBD-0727AKOS005071876
Show more names
Benzenamine, 4-[[(4-bromophenyl)thio]methyl]-
CS-0366107
Database identifiers
- CAS
54306-14-8- PubChem CID
- 43345342
- DTXSID
DTXSID80655895
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 104 · 104-106°
- 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]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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