Home Nitriles 2-{1-[(2-aminophenyl)sulfanyl]cyclopentyl}acetonitrile

2-{1-[(2-aminophenyl)sulfanyl]cyclopentyl}acetonitrile

CAS No.:
1269152-20-6
Catalog Number:
AG01AGTB
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
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Product Description
Catalog Number:
AG01AGTB
Chemical Name:
2-{1-[(2-aminophenyl)sulfanyl]cyclopentyl}acetonitrile
CAS Number:
1269152-20-6
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD18380655
IUPAC Name:
2-[1-(2-aminophenyl)sulfanylcyclopentyl]acetonitrile
InChI:
InChI=1S/C13H16N2S/c14-10-9-13(7-3-4-8-13)16-12-6-2-1-5-11(12)15/h1-2,5-6H,3-4,7-9,15H2
InChI Key:
CRSJBUAODJTMPN-UHFFFAOYSA-N
SMILES:
N#CCC1(CCCC1)Sc1ccccc1N
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties