CC1=C(C(=NN1)N)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)Cl
الاسم: 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-6-sulfonyl chloride
SMILES: CC1=C(C(=NN1)N)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C11H9ClN4O2S2
Molecular weight
328.81
Exact mass
327.9855
XLogP
2.5
TPSA
101.73
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
79.39

Supplementary Information

InChIKey: GZBZLHOUJBEWQR-UHFFFAOYSA-N
مرادفات
SCHEMBL686463GZBZLHOUJBEWQR-UHFFFAOYSA-N2-(5-amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonyl chloride2-(5-amino-3-methyl-1H-pyrazol-4-yl)benzothiazole-6-sulfonyl chloride
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