200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 118218-36-3

118218-36-3

118218-36-3 | Ethanol, 2-[[4-[2-(6,7-dichloro-2-benzothiazolyl)diazenyl]-3-methylphenyl]ethylamino]-, 1-acetate

CAS No: 118218-36-3 Catalog No: AG000IKD MDL No:

Product Description

Catalog Number:
AG000IKD
Chemical Name:
Ethanol, 2-[[4-[2-(6,7-dichloro-2-benzothiazolyl)diazenyl]-3-methylphenyl]ethylamino]-, 1-acetate
CAS Number:
118218-36-3
Molecular Formula:
C20H20Cl2N4O2S
Molecular Weight:
451.3694
IUPAC Name:
acetic acid;2-[2-[4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl]ethylamino]ethanol
InChI:
InChI=1S/C18H18Cl2N4OS.C2H4O2/c1-11-10-12(6-7-21-8-9-25)2-4-14(11)23-24-18-22-15-5-3-13(19)16(20)17(15)26-18;1-2(3)4/h2-5,10,21,25H,6-9H2,1H3;1H3,(H,3,4)
InChI Key:
CIUVVYVCPNRFSW-UHFFFAOYSA-N
SMILES:
CC(=O)OCCNCCc1ccc(c(c1)C)N=Nc1nc2c(s1)c(Cl)c(cc2)Cl

Properties

Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.079g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
469.381g/mol
Monoisotopic Mass:
468.079g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.