AC1MXW6J structure

AC1MXW6J

6-nitro-3-[(4-phenyldiazenylanilino)methyl]-1,3-benzothiazole-2-thione

Also Known As: 2(3H)-Benzothiazolethione, 6-nitro-3-[[[4-(2-phenyldiazenyl)phenyl]amino]methyl]-|6-nitro-3-[(4-phenyldiazenylanilino)methyl]-1,3-benzothiazole-2-thione|6-nitro-3-[[(4-phenyldiazenylphenyl)amino]methyl]benzothiazole-2-thione

CAS: 301342-92-7
Molecular Formula C20H15N5O2S2
Molecular Weight 421.0667 g/mol
LogP 6.82549
Topological Polar Surface Area 84.82 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 421.0667
Monoisotopic Mass 421.0667
Heavy Atoms 29
Complexity 1247.6031

Chemical Identifiers

CAS Number 301342-92-7
SMILES C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

Product Overview

AC1MXW6J (CAS 301342-92-7), with molecular formula C20H15N5O2S2 and molecular weight 421.0667 g/mol. IUPAC: 6-nitro-3-[(4-phenyldiazenylanilino)methyl]-1,3-benzothiazole-2-thione.

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