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88735-39-1 | Benzothiazole, 3-butyl-2,3-dihydro-2-(3-phenyl-2-triazenylidene)-
CAS No: 88735-39-1 Catalog No: AG0045I9 MDL No:
Product Description
Catalog Number:
AG0045I9
Chemical Name:
Benzothiazole, 3-butyl-2,3-dihydro-2-(3-phenyl-2-triazenylidene)-
CAS Number:
88735-39-1
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
3-butyl-N-phenyldiazenyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C17H18N4S/c1-2-3-13-21-15-11-7-8-12-16(15)22-17(21)19-20-18-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChI Key:
ORUUELFNVIDKIF-UHFFFAOYSA-N
SMILES:
CCCCn1c(=NN=Nc2ccccc2)sc2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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