Home Other Building Blocks 1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine

1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine

CAS No.:
1183610-56-1
Catalog Number:
AG01AAMM
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
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Product Description
Catalog Number:
AG01AAMM
Chemical Name:
1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine
CAS Number:
1183610-56-1
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
MDL Number:
MFCD12762209
IUPAC Name:
1-(4-propan-2-ylsulfanylphenyl)ethanamine
InChI:
InChI=1S/C11H17NS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3
InChI Key:
LRDXHVBIGLAVCI-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)C(N)C)C
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties