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113560-44-4 | Propanenitrile, 3-[[4-(2-naphtho[2,1-d]thiazol-2-yldiazenyl)phenyl]amino]-
CAS No: 113560-44-4 Catalog No: AG000903 MDL No:
Product Description
Catalog Number:
AG000903
Chemical Name:
Propanenitrile, 3-[[4-(2-naphtho[2,1-d]thiazol-2-yldiazenyl)phenyl]amino]-
CAS Number:
113560-44-4
Molecular Formula:
C20H15N5S
Molecular Weight:
357.4316
IUPAC Name:
3-[4-(benzo[g][1,3]benzothiazol-2-yldiazenyl)anilino]propanenitrile
InChI:
InChI=1S/C20H15N5S/c21-12-3-13-22-15-7-9-16(10-8-15)24-25-20-23-18-11-6-14-4-1-2-5-17(14)19(18)26-20/h1-2,4-11,22H,3,13H2
InChI Key:
JUKFHTZWERXOIJ-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccc(cc1)N=Nc1nc2c(s1)c1ccccc1cc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.435g/mol
Monoisotopic Mass:
357.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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