CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)Cl
CAS: 898270-94-5
Name: 2-tert-butyl-4-chloro-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILES: CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)Cl

Molecular Processing

Molecular formula
C13H14ClNO3S
Molecular weight
299.78
Exact mass
299.0383
XLogP
2.56
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
74.73

Supplementary Information

InChIKey: CTUGQRZCOJGEAY-UHFFFAOYSA-N
Synonyme
2-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide898270-94-5SCHEMBL1999253CTUGQRZCOJGEAY-UHFFFAOYSA-NDB-338755
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