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828914-21-2

828914-21-2 | Benzenamine, N-(3-butyl-2-thiazolidinylidene)-3-chloro-

CAS No: 828914-21-2 Catalog No: AG004WER MDL No:

Product Description

Catalog Number:
AG004WER
Chemical Name:
Benzenamine, N-(3-butyl-2-thiazolidinylidene)-3-chloro-
CAS Number:
828914-21-2
Molecular Formula:
C13H17ClN2S
Molecular Weight:
268.8055
IUPAC Name:
3-butyl-N-(3-chlorophenyl)-1,3-thiazolidin-2-imine
InChI:
InChI=1S/C13H17ClN2S/c1-2-3-7-16-8-9-17-13(16)15-12-6-4-5-11(14)10-12/h4-6,10H,2-3,7-9H2,1H3
InChI Key:
SZAXRZJGOVCJIU-UHFFFAOYSA-N
SMILES:
CCCCN1CCSC1=Nc1cccc(c1)Cl

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.803g/mol
Monoisotopic Mass:
268.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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