AG0012CZ

Name: 1-(METHYLSULFANYL)BUTAN-2-ONE
Brand: Angene Chemical
SKU: AG0012CZ

13678-58-5 | 1-(METHYLSULFANYL)BUTAN-2-ONE

AG0012CZ

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CAS Number	13678-58-5
Catalog Number	AG0012CZ(AGN-PC-0JL4LQ)
Chemical Name	1-(METHYLSULFANYL)BUTAN-2-ONE
EC Number	237-169-7
FEMA Number	3207
IUPAC Name	1-methylsulfanylbutan-2-one
InChI	InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChI Key	GOAGGJDTOMPTSA-UHFFFAOYSA-N
MDL Number	MFCD00209520
Molecular Formula	C5H10OS
Molecular Weight	118.1973
SMILES	CCC(CSC)=O
UNII	KPY19W300G
Synonyms	1-(Methylthio)-2-butanone, 13678-58-5, 1-Methylthio-2-butanone, 2-Butanone, 1-(methylthio)-, 1-methylsulfanylbutan-2-one, 1-(methylsulfanyl)butan-2-one, 1-(Methylthio)butan-2-one, UNII-KPY19W300G, 1-(methyl thio)-2-butanone, KPY19W300G, FEMA No. 3207, 1-methylsulfanyl-butan-2-one, EINECS 237-169-7, AC1L1VO4, Methylthiomethyl ethyl ketone, 2-Butanone,1-(methylthio)-, SCHEMBL811352, 1-(methylsulfanyl)-2-butanone, Jsp002215, DTXSID4065577, CTK4C0469, FEMA 3207, ZINC1850679, AKOS011317221, NE60508, AN-18471, K829, AB1007238, DB-003149, FT-0605837, EN300-80292, 678M585, A807128, I09-1851, Methylthiomethyl ethyl ketone; 1-(Methylthio)butan-2-one; 1-(methylthio)-2-Butanone, C5H10OS, C5-H10-O-S, CID61656,

Complexity	61.1
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	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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