Basic information
- CAS
862975-05-1- Standard SMILES
Fc1cccc2sc(NCc3ccccc3)nc12- InChIKey
KLWLVMAXCMSZCH-UHFFFAOYSA-N- Molecular formula
- C14H11FN2S
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.06269769
Names & identifiers
- Preferred name
- N-benzyl-4-fluorobenzo[d]thiazol-2-amine
- IUPAC
- N-benzyl-4-fluoro-1,3-benzothiazol-2-amine
- English name
- N-Benzyl-4-fluorobenzo[d]thiazol-2-amine
- Molecular formula
- C14H11FN2S
- Molecular weight
- 258.31
Names & synonyms
N-benzyl-4-fluorobenzo[d]thiazol-2-amine862975-05-1N-benzyl-4-fluoro-1,3-benzothiazol-2-amineF0646-1781ChemDiv3_009567HMS1500C19SMSSF-0059397AKOS022528932IDI1_027477AB00670842-01N-benzyl(4-fluoro-1,3-benzothiazol-2-yl)amineF515191
Show more names
2-Benzothiazolamine, 4-fluoro-N-(phenylmethyl)-
SR-01000096667SR-01000096667-1BRD-K07199274-001-01-5
Database identifiers
- CAS
862975-05-1- PubChem CID
- 6622120
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 406.8 · 406.8±47.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 1.94 · 1.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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