AG00C153

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CAS Number	23747-45-7
Catalog Number	AG00C153(AGN-PC-0JLYJ0)
Chemical Name	S-Methyl isovalerate
EC Number	245-863-6
FEMA Number	3864
IUPAC Name	S-methyl 3-methylbutanethioate
InChI	InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChI Key	MPLWTJZAFOVXKP-UHFFFAOYSA-N
MDL Number	MFCD08437077
Molecular Formula	C6H12OS
Molecular Weight	132.2239
SMILES	CC(CC(SC)=O)C
UNII	UB23WZ59H0
Synonyms	S-Methyl 3-methylbutanethioate, 23747-45-7, Methanethiol isovalerate, Butanethioic acid, 3-methyl-, S-methyl ester, s-methyl thioisovalerate, UNII-UB23WZ59H0, S-Methyl 3-methylthiobutyrate, Fema 3864, UB23WZ59H0, EINECS 245-863-6, methyl thio isovalerate, AC1L3JKR, AC1Q68RW, S-Methyl thio-3-methylbutyrate, SCHEMBL3506127, DTXSID3066928, CHEBI:89436, MPLWTJZAFOVXKP-UHFFFAOYSA-N, ZINC5360197, AKOS006288153, 3-Methylbutanethioic acid S-methyl ester, U810, AB1006105, Butanethioic acid,3-methyl-, S-methyl ester, FT-0659795, 3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE, 747S457, Methane thiol isovalerate; Methyl isopentanethioate, I09-1132, S-Methylisovalerate, C6H12OS, C6-H12-O-S, CID90246, AR-1L4274, 24303-87-5,

Complexity	78.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.061g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.221g/mol
Monoisotopic Mass	132.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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