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188179-07-9 | Pyrido[2',1':2,3]imidazo[4,5-e]benzothiazole (9CI)
CAS No: 188179-07-9 Catalog No: AG002GQK MDL No:
Product Description
Catalog Number:
AG002GQK
Chemical Name:
Pyrido[2',1':2,3]imidazo[4,5-e]benzothiazole (9CI)
CAS Number:
188179-07-9
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
IUPAC Name:
5-thia-3,10,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,10,12,14-heptaene
InChI:
InChI=1S/C12H7N3S/c1-2-6-15-10(3-1)14-8-4-5-9-11(12(8)15)13-7-16-9/h1-7H
InChI Key:
DKZXEUVCGWZKJZ-UHFFFAOYSA-N
SMILES:
c1ccn2c(c1)nc1c2c2ncsc2cc1
Properties
Complexity:
285
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:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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