AG01EJR6

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CAS Number	61121-66-2
Catalog Number	AG01EJR6(AGN-PC-0JSMS1)
Chemical Name	5-methanesulfinylpentanenitrile
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
MDL Number	MFCD20394964
Molecular Formula	C6H11NOS
Molecular Weight	145.2226
SMILES	CS(CCCCC#N)=O
Synonyms	Sulforaphane nitrile, Pentanenitrile, 5-(methylsulfinyl)-, 5-METHANESULFINYLPENTANENITRILE, 61121-66-2, AC1LBWQM, 5-methylsulfinylpentanenitrile, SCHEMBL9277702, CTK2E6741, 5-(methylsulfinyl)-pentanenitrile, DTXSID50337631, FGYQUFZANKOISC-UHFFFAOYSA-N, 5-(Methylsulfinyl)pentanenitrile #, AKOS014018195, CID543743,

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

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited