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88291-45-6 | Ethanol, 2,2'-[[[(4-methyl-2-benzothiazolyl)azo]phenyl]imino]bis-
CAS No: 88291-45-6 Catalog No: AG0049SZ MDL No:
Product Description
Catalog Number:
AG0049SZ
Chemical Name:
Ethanol, 2,2'-[[[(4-methyl-2-benzothiazolyl)azo]phenyl]imino]bis-
CAS Number:
88291-45-6
Molecular Formula:
C18H20N4O2S
Molecular Weight:
356.4420
IUPAC Name:
2-[N-(2-hydroxyethyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
InChI:
InChI=1S/C18H20N4O2S/c1-13-5-4-8-16-17(13)19-18(25-16)21-20-14-6-2-3-7-15(14)22(9-11-23)10-12-24/h2-8,23-24H,9-12H2,1H3
InChI Key:
QGJWMYGAOHEGHT-UHFFFAOYSA-N
SMILES:
OCCN(c1ccccc1N=Nc1sc2c(n1)c(C)ccc2)CCO
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.444g/mol
Monoisotopic Mass:
356.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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