AG0096F6

Name: 3-(Methylsulfonyl)-1-propyne
Brand: Angene Chemical
SKU: AG0096F6

111247-76-8 | 3-(Methylsulfonyl)-1-propyne

AG0096F6

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CAS Number	111247-76-8
Catalog Number	AG0096F6(AGN-PC-000T95)
Chemical Name	3-(Methylsulfonyl)-1-propyne
IUPAC Name	3-methylsulfonylprop-1-yne
InChI	InChI=1S/C4H6O2S/c1-3-4-7(2,5)6/h1H,4H2,2H3
InChI Key	ALPBMPMAKKNWNA-UHFFFAOYSA-N
MDL Number	MFCD16295421
Molecular Formula	C4H6O2S
Molecular Weight	118.1542
SMILES	CS(CC#C)(=O)=O
Synonyms	111247-76-8, 3-methanesulfonylprop-1-yne, 3-(Methylsulfonyl)-1-propyne, 1-Propyne, 3-(methylsulfonyl)-, 1-methanesulfonyl-2-propyne, 3-(Methanesulfonyl)prop-1-yne, SCHEMBL1484508, DTXSID20557844, ALPBMPMAKKNWNA-UHFFFAOYSA-N, ZINC41125489, 3-(Methylsulfonyl)-1-propyne, 95%, AKOS015948400, MCULE-8710940034,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.009g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.15g/mol
Monoisotopic Mass	118.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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