AG01AFTT

Name: 4-acetyl-1lambda6-thiane-1,1-dione
Brand: Angene Chemical
SKU: AG01AFTT

473254-30-7 | 4-acetyl-1lambda6-thiane-1,1-dione

AG01AFTT

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CAS Number	473254-30-7
Catalog Number	AG01AFTT(AGN-PC-0WOAZ0)
Chemical Name	4-acetyl-1lambda6-thiane-1,1-dione
IUPAC Name	1-(1,1-dioxothian-4-yl)ethanone
InChI	InChI=1S/C7H12O3S/c1-6(8)7-2-4-11(9,10)5-3-7/h7H,2-5H2,1H3
InChI Key	LQAIPLKHRUJIPH-UHFFFAOYSA-N
MDL Number	MFCD21775912
Molecular Formula	C7H12O3S
Molecular Weight	176.2334
SMILES	O=S1(CCC(CC1)C(C)=O)=O
Synonyms	4-acetyl-1lambda6-thiane-1,1-dione, 473254-30-7, SCHEMBL12436094, 4-acetyl-1??-thiane-1,1-dione, 4-acetyl-1lambda-thiane-1,1-dione, ZINC60257904, AKOS015784694, NE18867, 4-ethanoyltetrahydro-2h-thiopyran-1,1-dioxide,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.051g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.23g/mol
Monoisotopic Mass	176.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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