AG00503M

Name: 1-(5-Methylthien-2-yl)butan-1-one
Brand: Angene Chemical
SKU: AG00503M

79852-26-9 | 1-(5-Methylthien-2-yl)butan-1-one

AG00503M

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CAS Number	79852-26-9
Catalog Number	AG00503M(AGN-PC-0JNSM6)
Chemical Name	1-(5-Methylthien-2-yl)butan-1-one
IUPAC Name	1-(5-methylthiophen-2-yl)butan-1-one
InChI	InChI=1S/C9H12OS/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3
InChI Key	GDOVKRSCOWPYAI-UHFFFAOYSA-N
MDL Number	MFCD02254119
Molecular Formula	C9H12OS
Molecular Weight	168.2560
NSC Number	80376
SMILES	C1(C(CCC)=O)=CC=C(C)S1
Synonyms	79852-26-9, 1-(5-methylthien-2-yl)butan-1-one, 1-(5-methylthiophen-2-yl)butan-1-one, 1-(5-methyl-2-thienyl)butan-1-one, 1-Butanone,1-(5-methyl-2-thienyl)-, NSC80376, AC1Q2UET, AC1L5RQ5, 2-Butyryl-5-methylthiophene, CTK5E7184, DTXSID30292113, ALBB-003000, ZINC1596519, 9890AE, BBL017872, MFCD02254119, NSC-80376, STK487814, AKOS003395915, MCULE-8591258782, AJ-27854, TR-053034, ST50885830, W-9326, 1- BUTAN-1-ONE, C9H12OS, CID255124,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.061g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.254g/mol
Monoisotopic Mass	168.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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