trivial
CE-123
systemic
('S')-5-(benzhydrylsulfinylmethyl)-1,3-thiazole

Identifiers

InChIKey: VBBBWHDWYLUSEL-UHFFFAOYSA-N

Formula: C17H15NOS2

CAS Registry numbers:

Descriptors

Bioavailability-related

Molecular weight: 313.06 Da
Partition coefficient: 4.18
H bond donors: 0
H bond acceptors: 2
Rotatable bonds: 5
Molar refractivity: 88.69 J mol-1 K-1
Polar surface area: 29.96 Å2

Generic

Stereocenters: 1
Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0

Ring-related

Rings: 3
Heterocycles: 1
Aromatic rings: 3
Aromatic carbocycles: 2
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0