Home Nitriles 2-amino-2-methyl-3-(methylsulfanyl)propanenitrile hydrochloride

2-amino-2-methyl-3-(methylsulfanyl)propanenitrile hydrochloride

CAS No.:
1803593-45-4
Catalog Number:
AG01BADC
Molecular Formula:
C5H11ClN2S
Molecular Weight:
166.6722
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Product Description
Catalog Number:
AG01BADC
Chemical Name:
2-amino-2-methyl-3-(methylsulfanyl)propanenitrile hydrochloride
CAS Number:
1803593-45-4
Molecular Formula:
C5H11ClN2S
Molecular Weight:
166.6722
MDL Number:
MFCD28397606
IUPAC Name:
2-amino-2-methyl-3-methylsulfanylpropanenitrile;hydrochloride
InChI:
InChI=1S/C5H10N2S.ClH/c1-5(7,3-6)4-8-2;/h4,7H2,1-2H3;1H
InChI Key:
JAWPAUUJLPJCHG-UHFFFAOYSA-N
SMILES:
CC(C#N)(CSC)N.Cl
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.033g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.667g/mol
Monoisotopic Mass:
166.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties