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16407-52-6 | Phenol, 4-[2-(4,5,6,7-tetrahydro-5,5-dimethyl-2-benzothiazolyl)diazenyl]-
CAS No: 16407-52-6 Catalog No: AG001UMH MDL No:
Product Description
Catalog Number:
AG001UMH
Chemical Name:
Phenol, 4-[2-(4,5,6,7-tetrahydro-5,5-dimethyl-2-benzothiazolyl)diazenyl]-
CAS Number:
16407-52-6
Molecular Formula:
C15H17N3OS
Molecular Weight:
287.3800
IUPAC Name:
4-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)diazenyl]phenol
InChI:
InChI=1S/C15H17N3OS/c1-15(2)8-7-13-12(9-15)16-14(20-13)18-17-10-3-5-11(19)6-4-10/h3-6,19H,7-9H2,1-2H3
InChI Key:
TUNGKYQGMPBXMB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N=Nc1nc2c(s1)CCC(C2)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.381g/mol
Monoisotopic Mass:
287.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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