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88291-44-5 | Ethanol, 2,2'-[[[(6-methyl-2-benzothiazolyl)azo]phenyl]imino]bis-
CAS No: 88291-44-5 Catalog No: AG0049T0 MDL No:
Product Description
Catalog Number:
AG0049T0
Chemical Name:
Ethanol, 2,2'-[[[(6-methyl-2-benzothiazolyl)azo]phenyl]imino]bis-
CAS Number:
88291-44-5
Molecular Formula:
C18H20N4O2S
Molecular Weight:
356.4420
IUPAC Name:
2-[N-(2-hydroxyethyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
InChI:
InChI=1S/C18H20N4O2S/c1-13-6-7-15-17(12-13)25-18(19-15)21-20-14-4-2-3-5-16(14)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3
InChI Key:
VHTCBXLIXCICSX-UHFFFAOYSA-N
SMILES:
OCCN(c1ccccc1N=Nc1sc2c(n1)ccc(c2)C)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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