Home Nitriles [(3-aminopropyl)sulfanyl]carbonitrile hydrobromide

[(3-aminopropyl)sulfanyl]carbonitrile hydrobromide

CAS No.:
1803600-03-4
Catalog Number:
AG01B8PP
Molecular Formula:
C4H9BrN2S
Molecular Weight:
197.0967
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Product Description
Catalog Number:
AG01B8PP
Chemical Name:
[(3-aminopropyl)sulfanyl]carbonitrile hydrobromide
CAS Number:
1803600-03-4
Molecular Formula:
C4H9BrN2S
Molecular Weight:
197.0967
MDL Number:
MFCD28348093
IUPAC Name:
3-aminopropyl thiocyanate;hydrobromide
InChI:
InChI=1S/C4H8N2S.BrH/c5-2-1-3-7-4-6;/h1-3,5H2;1H
InChI Key:
HCJIGOSBUJVHAD-UHFFFAOYSA-N
SMILES:
NCCCSC#N.Br
Properties
Complexity:
73  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.967g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.094g/mol
Monoisotopic Mass:
195.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties