AG01AA4K

Name: 3-[(Methylsulfanyl)methyl]benzonitrile
Brand: Angene Chemical
SKU: AG01AA4K

233772-14-0 | 3-[(Methylsulfanyl)methyl]benzonitrile

AG01AA4K

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CAS Number	233772-14-0
Catalog Number	AG01AA4K(AGN-PC-02WY4L)
Chemical Name	3-[(Methylsulfanyl)methyl]benzonitrile
IUPAC Name	3-(methylsulfanylmethyl)benzonitrile
InChI	InChI=1S/C9H9NS/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5H,7H2,1H3
InChI Key	ALJZQQBHCBGNPD-UHFFFAOYSA-N
MDL Number	MFCD12819485
Molecular Formula	C9H9NS
Molecular Weight	163.2395
SMILES	CSCC1=CC(C#N)=CC=C1
Synonyms	3-[(methylsulfanyl)methyl]benzonitrile, 233772-14-0, Benzonitrile, 3-[(methylthio)methyl]-, AC1Q4HB2, SCHEMBL4935305, 3-(Methylthiomethyl)benzonitrile, ZINC37995865, AKOS008140900, MCULE-6275072982, NE17666, EN300-67055, Z599630632,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.046g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.238g/mol
Monoisotopic Mass	163.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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