NSC61658 structure

NSC61658

N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Also Known As: J2.982.845H|1-(2,3-Dihydrobenzothiazole-2-ylidene)-2-[4-[bis(2-chloroethyl)amino]benzylidene]hydrazine|4-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}-N,N-bis(2-chloroethyl)aniline|N,N-bis(2-chloroethyl)-4-{[2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]methyl}aniline

CAS: 802-58-4
Molecular Formula C18H18Cl2N4S
Molecular Weight 392.06293 g/mol
LogP 5.0263
Topological Polar Surface Area 40.52 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 392.06293
Monoisotopic Mass 392.06293
Heavy Atoms 25
Complexity 793.46814

Chemical Identifiers

CAS Number 802-58-4
SMILES C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl

Product Overview

NSC61658 (CAS 802-58-4), with molecular formula C18H18Cl2N4S and molecular weight 392.06293 g/mol. IUPAC: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-benzothiazol-2-amine.

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