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118001-67-5 | 4-IMIDAZO[2,1-B]THIAZOL-6-YL-BENZONITRILE
CAS No: 118001-67-5 Catalog No: AG007743 MDL No:MFCD08062346
Product Description
Catalog Number:
AG007743
Chemical Name:
4-IMIDAZO[2,1-B]THIAZOL-6-YL-BENZONITRILE
CAS Number:
118001-67-5
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
MDL Number:
MFCD08062346
IUPAC Name:
4-imidazo[2,1-b][1,3]thiazol-6-ylbenzonitrile
InChI:
InChI=1S/C12H7N3S/c13-7-9-1-3-10(4-2-9)11-8-15-5-6-16-12(15)14-11/h1-6,8H
InChI Key:
IMHNMHBXEGRBRX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cn2c(n1)scc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.269g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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