Home Halogens {2-[(2,4-Dichlorobenzyl)thio]ethyl}amine

{2-[(2,4-Dichlorobenzyl)thio]ethyl}amine

CAS No.:
27955-92-6
Catalog Number:
AG00I595
Molecular Formula:
C9H11Cl2NS
Molecular Weight:
236.1613
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Product Description
Catalog Number:
AG00I595
Chemical Name:
{2-[(2,4-Dichlorobenzyl)thio]ethyl}amine
CAS Number:
27955-92-6
Molecular Formula:
C9H11Cl2NS
Molecular Weight:
236.1613
MDL Number:
MFCD09034638
IUPAC Name:
2-[(2,4-dichlorophenyl)methylsulfanyl]ethanamine
InChI:
InChI=1S/C9H11Cl2NS/c10-8-2-1-7(9(11)5-8)6-13-4-3-12/h1-2,5H,3-4,6,12H2
InChI Key:
LOKDUTUBQFHUBY-UHFFFAOYSA-N
SMILES:
NCCSCc1ccc(cc1Cl)Cl
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.154g/mol
Monoisotopic Mass:
234.999g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties