N#CCc1ccc2nc(N)sc2c1
CAS: 352530-05-3
Nombre: 2-(2-amino-1,3-benzothiazol-6-yl)acetonitrile
SMILES: N#CCc1ccc2nc(N)sc2c1

Molecular Processing

Molecular formula
C9H7N3S
Molecular weight
189.24
Exact mass
189.0361
XLogP
1.94
TPSA
62.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
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
0.111
Molar refractivity
53.35

Supplementary Information

InChIKey: KAUYEYJEFMZZGK-UHFFFAOYSA-N
Sinónimos
352530-05-3(2-amino-1,3-benzothiazol-6-yl)acetonitrileDTXSID20612129RefChem:395227DTXCID905628842-(2-Aminobenzo[d]thiazol-6-yl)acetonitrile2-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)ACETONITRILE6-Benzothiazoleacetonitrile,2-amino-(9CI)MFCD118448456-Benzothiazoleacetonitrile, 2-amino-SCHEMBL111591KAUYEYJEFMZZGK-UHFFFAOYSA-NBS-28312DB-273068CS-0210694G10434(2-Amino-1,3-benzothiazol-6-yl)methyl cyanideF637937
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