AG01B2NV

Name: 1lambda4-thiepane-1,4-dione
Brand: Angene Chemical
SKU: AG01B2NV

91195-51-6 | 1lambda4-thiepane-1,4-dione

AG01B2NV

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CAS Number	91195-51-6
Catalog Number	AG01B2NV
Chemical Name	1lambda4-thiepane-1,4-dione
IUPAC Name	1-oxothiepan-4-one
InChI	InChI=1S/C6H10O2S/c7-6-2-1-4-9(8)5-3-6/h1-5H2
InChI Key	UVADJTMBLONRLZ-UHFFFAOYSA-N
MDL Number	MFCD24698992
Molecular Formula	C6H10O2S
Molecular Weight	146.2074
SMILES	O=C1CCS(=O)CCC1
Synonyms	1lambda4-thiepane-1,4-dione, 91195-51-6,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.04g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.204g/mol
Monoisotopic Mass	146.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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