AG00D7D2

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COA

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CAS Number	42919-64-2
Catalog Number	AG00D7D2(AGN-PC-0JL4SI)
Chemical Name	4-(methylthio)butyraldehyde
EC Number	256-001-3
FEMA Number	3414
IUPAC Name	4-methylsulfanylbutanal
InChI	InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3
InChI Key	RZBUXNXJKZHGLL-UHFFFAOYSA-N
MDL Number	MFCD12031813
Molecular Formula	C5H10OS
Molecular Weight	118.1973
SMILES	CSCCCC=O
UNII	665I2LWS8I
Synonyms	4-(Methylthio)butanal, 4-(methylsulfanyl)butanal, 42919-64-2, 4-(Methylthio)butyraldehyde, UNII-665I2LWS8I, gamma-(Methylthio)butyraldehyde, gamma-(Methylmercapto)butyraldehyde, 665I2LWS8I, FEMA No. 3414, Butanal, 4-(methylthio)-, EINECS 256-001-3, 4-(methylthio) butanal, 4-(Methylthio)-Butanal, AC1L1WAV, Butanal,4-(methylthio)-, SCHEMBL442540, CTK4I6792, FEMA 3414, DTXSID40195565, ZINC1850433, AKOS026744253, NE15380, FT-0613813, 4-methylsulfanylbutanal, Butanal , 4-(methylthio)-, 1-Butanal, 4-(methylthio)-, C5-H10-O-S, CID62000,

Complexity	45.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.045g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.194g/mol
Monoisotopic Mass	118.045g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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