Home Nitriles 3-[(2-aminophenyl)sulfanyl]butanenitrile

3-[(2-aminophenyl)sulfanyl]butanenitrile

CAS No.:
1269151-68-9
Catalog Number:
AG01AGTE
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
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Product Description
Catalog Number:
AG01AGTE
Chemical Name:
3-[(2-aminophenyl)sulfanyl]butanenitrile
CAS Number:
1269151-68-9
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD18380657
IUPAC Name:
3-(2-aminophenyl)sulfanylbutanenitrile
InChI:
InChI=1S/C10H12N2S/c1-8(6-7-11)13-10-5-3-2-4-9(10)12/h2-5,8H,6,12H2,1H3
InChI Key:
KMBBRAKSDJLGEY-UHFFFAOYSA-N
SMILES:
N#CCC(Sc1ccccc1N)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties