Basic information
- CAS
178804-04-1- Standard SMILES
Cc1cc(-c2nc3ccccc3s2)ccc1N- InChIKey
IDBCUMFOZBUJCL-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.07211956
Names & identifiers
- Preferred name
- 4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-2-methylaniline
- English name
- 4-(benzo[d]thiazol-2-yl)-2-methylaniline
- Molecular formula
- C14H12N2S
- Molecular weight
- 240.32
Names & synonyms
4-(1,3-benzothiazol-2-yl)-2-methylanilineDTXSID30327656RefChem:1069696DTXCID00278767178804-04-12-(4-amino-3-methylphenyl)benzothiazole4-(benzo[d]thiazol-2-yl)-2-methylanilineDF 203DF-2034-(1,3-benzothiazol-2-yl)-2-methyl-anilineNSC674495NSC 674495
Show more names
Benzenamine, 4-(2-benzothiazolyl)-2-methyl-
CHEMBL11825MLS002702269MFCD009508054-benzothiazol-2-yl-2-methylphenylamineBenzothiazole, 2-(4-amino-3-methylphenyl)-4-Benzothiazol-2-yl-2-methyl-phenylamineNSC-674495BAS 06856403
Database identifiers
- CAS
178804-04-1- PubChem CID
- 384525
- DTXSID
DTXSID30327656- ChEMBL
CHEMBL11825- Nikkaji
- J748.054G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 147 · 147-149 °C
- Boiling point
- 437.1 · 437.1±55.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.10(Predicted)
- HS Code
- 2934208090 · 2934208090
- Toxicity
- 25 mg/kg · mouse,LD,intraperitoneal,> 25mg/kg (25mg/kg),Journal of Medicinal Chemistry. Vol. 39, Pg. 3375, 1996.
Safety & regulation
Safety data
- hs_code
- 2934208090
- Toxicity
- mouse,LD,intraperitoneal,> 25mg/kg (25mg/kg),Journal of Medicinal Chemistry. Vol. 39, Pg. 3375, 1996.
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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