Text Search
Structure Search

ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanamido]benzoate

ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanamido]benzoate

Formula: C20H20N2O3S2

SMILES: CCOC(=O)C1=CC=C(NC(=O)C(CC)SC2=NC3=CC=CC=C3S2)C=C1

IUPAC: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanamido]benzoate

InChI: InChI=1/C20H20N2O3S2/c1-3-16(26-20-22-15-7-5-6-8-17(15)27-20)18(23)21-14-11-9-13(10-12-14)19(24)25-4-2/h5-12,16H,3-4H2,1-2H3,(H,21,23)

Composition: C (59.98%), H (5.03%), N (6.99%), O (11.98%), S (16.01%)

Molar Mass: 400.51

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 400.09153486
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MTWNRRWQHSRMLW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 109.66
Topological Polar Surface Area 68.29
Polarizability 43.12
Ring Count 3
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H20N2O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote