Basic information
- CAS
605628-10-2- Standard SMILES
O=S(=O)(c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1- InChIKey
MQHGQKONPHFFPX-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S2
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.08097017
Names & identifiers
- Preferred name
- 2-[1-(Phenylsulfonyl)-4-piperidinyl]-1,3-benzothiazole
- IUPAC
- 2-[1-(benzenesulfonyl)piperidin-4-yl]-1,3-benzothiazole
- English name
- Piperidine, 4-(2-benzothiazolyl)-1-(phenylsulfonyl)- (9CI)
- Molecular formula
- C18H18N2O2S2
- Molecular weight
- 358.48
Names & synonyms
605628-10-22-[1-(phenylsulfonyl)-4-piperidinyl]-1,3-benzothiazole2-[1-(benzenesulfonyl)piperidin-4-yl]-1,3-benzothiazoleASN 06580055Bionet1_003784Oprea1_731772HMS579J06Piperidine, 4-(2-benzothiazolyl)-1-(phenylsulfonyl)- (9CI)MFCD02082917AKOS0007635615P-513SDB-277897
Show more names
Benzothiazole, 2-[1-(phenylsulfonyl)-4-piperidinyl]-
ST50733348VU0477425-12-[1-(benzenesulfonyl)-4-piperidyl]-1,3-benzothiazolePIPERIDINE, 4-(2-BENZOTHIAZOLYL)-1-(PHENYLSULFONYL)-
Database identifiers
- CAS
605628-10-2- PubChem CID
- 1430225
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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