AG00CMJ8

Name: 1-[4-(Propan-2-ylsulfanyl)phenyl]ethan-1-one
Brand: Angene Chemical
SKU: AG00CMJ8

4074-53-7 | 1-[4-(Propan-2-ylsulfanyl)phenyl]ethan-1-one

AG00CMJ8

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CAS Number	4074-53-7
Catalog Number	AG00CMJ8(AGN-PC-0NINHS)
Chemical Name	1-[4-(Propan-2-ylsulfanyl)phenyl]ethan-1-one
IUPAC Name	1-(4-propan-2-ylsulfanylphenyl)ethanone
InChI	InChI=1S/C11H14OS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-8H,1-3H3
InChI Key	WTTFHZPZGUCXKR-UHFFFAOYSA-N
MDL Number	MFCD12798241
Molecular Formula	C11H14OS
Molecular Weight	194.2933
SMILES	CC(SC1=CC=C(C(C)=O)C=C1)C
Synonyms	1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-one, 4074-53-7, Ethanone, 1-[4-[(1-methylethyl)thio]phenyl]-, AC1Q1QU7, 4'-(Isopropylthio)acetophenone, SCHEMBL5319294, WTTFHZPZGUCXKR-UHFFFAOYSA-N, 1-acetyl-4-(methylethylthio)benzene, STL219955, ZINC37492264, AKOS005216865, MCULE-5754366801, NE37346, 1-[4-(propan-2-ylsulfanyl)phenyl]ethanone, ST45243708, EN300-69080, J3.524.490E, Z1258948220, 1-(4-(isopropylthio)phenyl)ethanone,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.077g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.292g/mol
Monoisotopic Mass	194.077g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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