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Home Nitriles 5-methanesulfinylpentanenitrile

5-methanesulfinylpentanenitrile

CAS No.:
61121-66-2
Catalog Number:
AG01EJR6
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
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Product Description
Catalog Number:
AG01EJR6
Chemical Name:
5-methanesulfinylpentanenitrile
CAS Number:
61121-66-2
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
MDL Number:
MFCD20394964
IUPAC Name:
5-methylsulfinylpentanenitrile
InChI:
InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3
InChI Key:
FGYQUFZANKOISC-UHFFFAOYSA-N
SMILES:
N#CCCCCS(=O)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.22g/mol
Monoisotopic Mass:
145.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles. Chemistry & biodiversity 20110601
Analysis and anti-Helicobacter activity of sulforaphane and related compounds present in broccoli ( Brassica oleracea L.) sprouts. Journal of agricultural and food chemistry 20100609
Properties