AG01AAUP

Name: 3-amino-4-(methylsulfanyl)benzonitrile
Brand: Angene Chemical
SKU: AG01AAUP

1178148-01-0 | 3-amino-4-(methylsulfanyl)benzonitrile

AG01AAUP

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CAS Number	1178148-01-0
Catalog Number	AG01AAUP
Chemical Name	3-amino-4-(methylsulfanyl)benzonitrile
IUPAC Name	3-amino-4-methylsulfanylbenzonitrile
InChI	InChI=1S/C8H8N2S/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3
InChI Key	MMMOLDWACARVRL-UHFFFAOYSA-N
MDL Number	MFCD12823601
Molecular Formula	C8H8N2S
Molecular Weight	164.2275
SMILES	CSC1=C(N)C=C(C#N)C=C1
Synonyms	3-amino-4-(methylsulfanyl)benzonitrile, 1178148-01-0, AC1Q4GWF, ZINC38063487, AKOS008142996, MCULE-4764826516, NE56788, EN300-69634,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.041g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.226g/mol
Monoisotopic Mass	164.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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