Basic information
- CAS
54708-13-3- Standard SMILES
Cc1cccc(C)c1Nc1nc2ccccc2s1- InChIKey
BCQAXSNWOZRUNC-UHFFFAOYSA-N- Molecular formula
- C15H14N2S
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.08776963
Names & identifiers
- Preferred name
- Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine
- IUPAC
- N-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
- English name
- Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine
- Molecular formula
- C15H14N2S
- Molecular weight
- 254.35
Names & synonyms
54708-13-3Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amineDTXSID30356168RefChem:328162DTXCID40307227N-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amineN-(2,6-Dimethylphenyl)benzo[d]thiazol-2-amine2-(2,6-dimethylphenyl)aminobenzothiazoleSBB038387AKOS000115466HS-7491benzothiazol-2-yl(2,6-dimethylphenyl)amine
Show more names
2-Benzothiazolamine, N-(2,6-dimethylphenyl)-
DB-297000CS-0280066EN300-02422N-(2,6-Dimethylphenyl)benzo[d]thiazol-2-amineEZ56856650
Database identifiers
- CAS
54708-13-3- PubChem CID
- 820171
- DTXSID
DTXSID30356168- Nikkaji
- J3.214.169B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 224 °C · 224 °C
- Boiling point
- 387.5 · 387.5±52.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 2.85 · 2.85±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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