Name: tert-butyl 2-[[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoate
SMILES:
CC(C)(C)OC(=O)C(C)(C)SC1=NC(=CS1)CCOMolecular Processing
Molecular formula
C13H21NO3S2
Molecular weight
303.45
Exact mass
303.0963
XLogP
2.89
TPSA
59.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
78.68
Supplementary Information
InChIKey: PXOBXUNTRLYHJL-UHFFFAOYSA-N
Synonyme
SCHEMBL2411178PXOBXUNTRLYHJL-UHFFFAOYSA-N2-{[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester
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