AG01C4HX

Name: 4-(Butan-2-ylsulfanyl)benzonitrile
Brand: Angene Chemical
SKU: AG01C4HX

186368-00-3 | 4-(Butan-2-ylsulfanyl)benzonitrile

AG01C4HX

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CAS Number	186368-00-3
Catalog Number	AG01C4HX(AGN-PC-00FAW8)
Chemical Name	4-(Butan-2-ylsulfanyl)benzonitrile
IUPAC Name	4-butan-2-ylsulfanylbenzonitrile
InChI	InChI=1S/C11H13NS/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-7,9H,3H2,1-2H3
InChI Key	YZHQPTUFAUXWOY-UHFFFAOYSA-N
MDL Number	MFCD11136351
Molecular Formula	C11H13NS
Molecular Weight	191.2926
SMILES	CCC(SC1=CC=C(C#N)C=C1)C
Synonyms	4-(butan-2-ylsulfanyl)benzonitrile, 186368-00-3, AKOS000220334, 4-(sec-butylthio)benzonitrile, 4-butan-2-ylsulfanylbenzonitrile, CID11745456,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.077g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.292g/mol
Monoisotopic Mass	191.077g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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