Basic information
- CAS
328087-15-6- Standard SMILES
Nc1ccc(-c2nc3ccc(F)cc3s2)cc1- InChIKey
FIHRCVGMRDXVHA-UHFFFAOYSA-N- Molecular formula
- C13H9FN2S
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.04704763
Names & identifiers
- Preferred name
- 4-(6-Fluoro-1,3-benzothiazol-2-yl)aniline
- IUPAC
- 4-(6-fluoro-1,3-benzothiazol-2-yl)aniline
- English name
- 4-(6-Fluorobenzo[d]thiazol-2-yl)benzenaMine
- Molecular formula
- C13H9FN2S
- Molecular weight
- 244.29
Names & synonyms
328087-15-64-(6-fluoro-1,3-benzothiazol-2-yl)anilineDTXSID20327923RefChem:288376DTXCID202790342-(4-aminophenyl)-6-fluorobenzothiazole4-(6-FLUOROBENZO[D]THIAZOL-2-YL)BENZENAMINE4-(6-FLUOROBENZO[D]THIAZOL-2-YL)ANILINEMFCD14704351CHEMBL284575NSC702153SCHEMBL1977616
Show more names
Benzenamine, 4-(6-fluoro-2-benzothiazolyl)-
FIHRCVGMRDXVHA-UHFFFAOYSA-NBDBM50483882STL481276AKOS005061769NSC-702153AS-35563NCI60_036610CS-0199884
Database identifiers
- CAS
328087-15-6- PubChem CID
- 396349
- DTXSID
DTXSID20327923- ChEMBL
CHEMBL284575- Nikkaji
- J1.540.638K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
LogP2.83
Physicochemical properties
- Melting point
- 152 · 152-155 °C
- Boiling point
- 426.4 · 426.4±51.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- pka
- 2.55 · 2.55±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
1 records
Compound notes
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