Home Halogens 2-{[(2-chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine

2-{[(2-chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine

CAS No.:
1248974-11-9
Catalog Number:
AG01A492
Molecular Formula:
C8H11ClN2S
Molecular Weight:
202.7043
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Product Description
Catalog Number:
AG01A492
Chemical Name:
2-{[(2-chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine
CAS Number:
1248974-11-9
Molecular Formula:
C8H11ClN2S
Molecular Weight:
202.7043
MDL Number:
MFCD16764917
IUPAC Name:
2-[(2-chloropyridin-4-yl)methylsulfanyl]ethanamine
InChI:
InChI=1S/C8H11ClN2S/c9-8-5-7(1-3-11-8)6-12-4-2-10/h1,3,5H,2,4,6,10H2
InChI Key:
JPGXERNMCOEMQJ-UHFFFAOYSA-N
SMILES:
NCCSCc1ccnc(c1)Cl
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.7g/mol
Monoisotopic Mass:
202.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties