Home Other Building Blocks [1-(3-fluoro-4-{[4-(propan-2-yl)phenyl]sulfanyl}phenyl)ethyl](methyl)amine hydrochloride

[1-(3-fluoro-4-{[4-(propan-2-yl)phenyl]sulfanyl}phenyl)ethyl](methyl)amine hydrochloride

CAS No.:
1306606-19-8
Catalog Number:
AG01AIHN
Molecular Formula:
C18H23ClFNS
Molecular Weight:
339.8983
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Product Description
Catalog Number:
AG01AIHN
Chemical Name:
[1-(3-fluoro-4-{[4-(propan-2-yl)phenyl]sulfanyl}phenyl)ethyl](methyl)amine hydrochloride
CAS Number:
1306606-19-8
Molecular Formula:
C18H23ClFNS
Molecular Weight:
339.8983
MDL Number:
MFCD18839089
IUPAC Name:
1-[3-fluoro-4-(4-propan-2-ylphenyl)sulfanylphenyl]-N-methylethanamine;hydrochloride
InChI:
InChI=1S/C18H22FNS.ClH/c1-12(2)14-5-8-16(9-6-14)21-18-10-7-15(11-17(18)19)13(3)20-4;/h5-13,20H,1-4H3;1H
InChI Key:
HNHUAGSQSOHMLV-UHFFFAOYSA-N
SMILES:
CNC(c1ccc(c(c1)F)Sc1ccc(cc1)C(C)C)C.Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.122g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.897g/mol
Monoisotopic Mass:
339.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties