C1=CC(=CN=C1)C2=NSN=C2Cl
CAS: 131986-28-2
Name: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole
SMILES: C1=CC(=CN=C1)C2=NSN=C2Cl

Molecular Processing

Molecular formula
C7H4ClN3S
Molecular weight
197.65
Exact mass
196.9814
XLogP
2.25
TPSA
38.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.15

Supplementary Information

InChIKey: CMPNWGQBNRHIQZ-UHFFFAOYSA-N
Synonyme
131986-28-23-CHLORO-4-(PYRIDIN-3-YL)-1,2,5-THIADIAZOLEDTXSID30440718K89V928C3URefChem:1067585DTXCID40391540PYRIDINE, 3-(4-CHLORO-1,2,5-THIADIAZOL-3-YL)-3-(4-chloro-1,2,5-thiadiazol-3-yl)pyridineMFCD030661873-chloro-4-(3-pyridyl)-1,2,5-thiadiazole3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole3-(4-Chloro-[1,2,5]thiadiazol-3-yl)-pyridine3-(3-chloro-1,2,5-thiadiazol-4yl)pyridineorb3031127SCHEMBL4031583CHEBI:194640CMPNWGQBNRHIQZ-UHFFFAOYSA-NFr12865CS-D1262GFA98628SBB092217AKOS005256215AB13049PD071442SY104294DB-0063973-chloro-4-pyrid-3-yl-1,2,5-thiadiazole3-(3-chloro-1,2,5-thiadiazol4-yl)pyridine3-(3-chloro-1,2,5thiadiazol-4-yl)pyridine3-(3-chloro1,2,5-thiadiazol-4-yl)pyridine
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