Basic information
- CAS
216502-43-1- Standard SMILES
COc1cccc(Nc2nc3ccccc3s2)c1- InChIKey
JCAWUKQDWALLIP-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.06703418
Names & identifiers
- Preferred name
- N-(3-Methoxyphenyl)-2-benzothiazolamine
- IUPAC
- N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
- English name
- N-(3-methoxyphenyl)benzo[d]thiazol-2-amine
- Molecular formula
- C14H12N2OS
- Molecular weight
- 256.32
Names & synonyms
216502-43-1N-(3-methoxyphenyl)-1,3-benzothiazol-2-amineDTXSID201277892N-(3-Methoxyphenyl)-2-benzothiazolamineRefChem:826641DTXCID901708406965-502-2Benzothiazol-2-yl-(3-methoxy-phenyl)-amineN-(3-Methoxyphenyl)benzo[d]thiazol-2-amine2-Benzothiazolamine, N-(3-methoxyphenyl)-Maybridge1_000429Oprea1_475709
Show more names
SCHEMBL5027241HMS542L11BTB 00596MFCD00115420SBB038393AKOS000122180CCG-235845benzothiazol-2-yl(3-methoxyphenyl)amine
Database identifiers
- CAS
216502-43-1- PubChem CID
- 694151
- DTXSID
DTXSID201277892- EC Number
- 965-502-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 407.3 · 407.3±47.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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