AG003JMB

Name: 3-Mercapto-2-pentanone
Brand: Angene Chemical
SKU: AG003JMB

67633-97-0 | 3-Mercapto-2-pentanone

AG003JMB

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CAS Number	67633-97-0
Catalog Number	AG003JMB(AGN-PC-0JL4WT)
Chemical Name	3-Mercapto-2-pentanone
EC Number	266-799-5
FEMA Number	3300
IUPAC Name	3-sulfanylpentan-2-one
InChI	InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
InChI Key	SZECUQRKLXRGSJ-UHFFFAOYSA-N
MDL Number	MFCD02093290
Molecular Formula	C5H10OS
Molecular Weight	118.1973
SMILES	CCC(C(=O)C)S
Synonyms	3-Mercapto-2-pentanone, 67633-97-0, 2-Pentanone, 3-mercapto-, 3-Mercaptopentan-2-one, 3-sulfanylpentan-2-one, FEMA No. 3300, 3-mercapto-2-penanone, EINECS 266-799-5, SZECUQRKLXRGSJ-UHFFFAOYSA-N, MFCD02093290, W-104707, AC1L1WQB, 3-Mercaptopentane-2-one, 2-Pentanone,3-mercapto-, ACMC-1B6YS, SCHEMBL758856, DTXSID1047445, CTK3J0229, FEMA 3300, 3-Sulfanyl-2-pentanone, AldrichCPR, ANW-35385, FCH918391, AKOS006227802, LS-2893, TRA0031077, KS-0000112H, AN-38300, CC-15418, AB1007241, RT-001705, FT-0615949, M2026, 633M970, C-00720, I09-0123, null, UNII-QI84S5GN0K, 2-pentanona, 3-mercapto-, QI84S5GN0K, C5H10OS, C5-H10-O-S, CID62237, cis-Hex-3-en-1-yl methyl carbonate, ZINC04802634, 2-Pentanone, 3-mercapto- (7CI,9CI), 3-Mercapto-2-pentanone, 99% - 1G 1g,

Complexity	70.5
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	1
Isotope Atom Count	0
Molecular Weight	118.194g/mol
Monoisotopic Mass	118.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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