Home Nitriles 2-amino-2-methyl-4-(methylsulfanyl)butanenitrile hydrochloride

2-amino-2-methyl-4-(methylsulfanyl)butanenitrile hydrochloride

CAS No.:
1803586-03-9
Catalog Number:
AG01BAB4
Molecular Formula:
C6H13ClN2S
Molecular Weight:
180.6988
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Product Description
Catalog Number:
AG01BAB4
Chemical Name:
2-amino-2-methyl-4-(methylsulfanyl)butanenitrile hydrochloride
CAS Number:
1803586-03-9
Molecular Formula:
C6H13ClN2S
Molecular Weight:
180.6988
MDL Number:
MFCD28397587
IUPAC Name:
2-amino-2-methyl-4-methylsulfanylbutanenitrile;hydrochloride
InChI:
InChI=1S/C6H12N2S.ClH/c1-6(8,5-7)3-4-9-2;/h3-4,8H2,1-2H3;1H
InChI Key:
KDKJCDLTBDNWGK-UHFFFAOYSA-N
SMILES:
CC(C#N)(CCSC)N.Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.049g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.694g/mol
Monoisotopic Mass:
180.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties