Home Nitriles 2-methyl-2-(methylsulfanyl)propanenitrile

2-methyl-2-(methylsulfanyl)propanenitrile

CAS No.:
10074-86-9
Catalog Number:
AG01A1T1
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
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Product Description
Catalog Number:
AG01A1T1
Chemical Name:
2-methyl-2-(methylsulfanyl)propanenitrile
CAS Number:
10074-86-9
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD21127166
IUPAC Name:
2-methyl-2-methylsulfanylpropanenitrile
InChI:
InChI=1S/C5H9NS/c1-5(2,4-6)7-3/h1-3H3
InChI Key:
BCTCSDKMQQXRKZ-UHFFFAOYSA-N
SMILES:
CSC(C#N)(C)C
Properties
Complexity:
97.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties