4-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1-sulfonamide
Basic information
- CAS
32365-02-9- Standard SMILES
Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1- InChIKey
LWDXETNVADTEDC-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2S2
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.02926895
Names & identifiers
- Preferred name
- 4-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1-sulfonamide
- IUPAC
- 4-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
- English name
- Benzenesulfonamide,4-amino-N-(4,5-dihydro-2-thiazolyl)-
- Molecular formula
- C9H11N3O2S2
- Molecular weight
- 257.33
Names & synonyms
32365-02-94-amino-n-(4,5-dihydrothiazol-2-yl)benzenesulfonamide4-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzene-1-sulfonamide4-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide4-amino-n-(4,5-dihydro-thiazol-2-yl)-benzenesulfonamideZINC306171STK000108NSC272584-Amino-N-(4,5-dihydrothiazol-2-yl) benzenesulfonamideSCHEMBL13290495DTXSID10282673HBA36502
Show more names
Benzenesulfonamide,4-amino-N-(4,5-dihydro-2-thiazolyl)-
MFCD01048678NSC-27258ZINC003061714AMINON(45DIHYDROTHIAZOL2YL)AKOS000580679Nc1ccc(cc1)S(=O)(=O)NC1=NCCS1ZINC000000306171CS-0237828
Database identifiers
- CAS
32365-02-9- PubChem CID
- 231302
- DTXSID
DTXSID10282673
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Boiling point
- 479.2 · 479.2±47.0 °C(Predicted)
- Density
- 1.4212 · 1.4212 (rough estimate)
- refractive index
- 1.656 · 1.6560 (estimate)
- pka
- 5.71 · 5.71±0.20(Predicted)
- Water Solubility
- 149 mg/L · 149mg/L(20 ºC)
- Symbol(GHS)
- 7 · GHS07
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
- Symbol(GHS)
- GHS07
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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