C1=CC(=C2C(=C1)N=NS2)CO
CAS: 135158-51-9
Name: 1,2,3-benzothiadiazol-7-ylmethanol
SMILES: C1=CC(=C2C(=C1)N=NS2)CO

Molecular Processing

Molecular formula
C7H6N2OS
Molecular weight
166.2
Exact mass
166.0201
XLogP
1.18
TPSA
46.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
43.34

Supplementary Information

InChIKey: MMJJSXHLELHPKL-UHFFFAOYSA-N
Synonyme
135158-51-9SCHEMBL543282MMJJSXHLELHPKL-UHFFFAOYSA-NDTXSID1013551021,2,3-benzothiadiazol-7-ylmethanol(1,2,3-Benzothiadiazol-7-yl)methanol7-hydroxymethylbenzo-1,2,3-thiadiazole7-hydroxymethyl-benzo-1,2,3-thiadiazole
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