Home Nitriles 4,4-dimethyl-5-(methylthio)-3-oxopentanenitrile

4,4-dimethyl-5-(methylthio)-3-oxopentanenitrile

CAS No.:
876299-32-0
Catalog Number:
AG00H3W5
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
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Product Description
Catalog Number:
AG00H3W5
Chemical Name:
4,4-dimethyl-5-(methylthio)-3-oxopentanenitrile
CAS Number:
876299-32-0
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD24693601
IUPAC Name:
4,4-dimethyl-5-methylsulfanyl-3-oxopentanenitrile
InChI:
InChI=1S/C8H13NOS/c1-8(2,6-11-3)7(10)4-5-9/h4,6H2,1-3H3
InChI Key:
WPJXSOZTTVUSHU-UHFFFAOYSA-N
SMILES:
CSCC(C(=O)CC#N)(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties