Home Halogens 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine

1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine

CAS No.:
1017170-44-3
Catalog Number:
AG01ABEJ
Molecular Formula:
C12H13ClN2S
Molecular Weight:
252.7630
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Product Description
Catalog Number:
AG01ABEJ
Chemical Name:
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine
CAS Number:
1017170-44-3
Molecular Formula:
C12H13ClN2S
Molecular Weight:
252.7630
MDL Number:
MFCD09882222
IUPAC Name:
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
InChI:
InChI=1S/C12H13ClN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3
InChI Key:
YGYIXXSODUCIOB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(c(s1)C(N)C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.76g/mol
Monoisotopic Mass:
252.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties