AG00DF50

Name: 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
Brand: Angene Chemical
SKU: AG00DF50

55727-23-6 | 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE

AG00DF50

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CAS Number	55727-23-6
Catalog Number	AG00DF50(AGN-PC-0JUVGH)
Chemical Name	3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
IUPAC Name	3-(1,3-dithian-2-ylidene)pentane-2,4-dione
InChI	InChI=1S/C9H12O2S2/c1-6(10)8(7(2)11)9-12-4-3-5-13-9/h3-5H2,1-2H3
InChI Key	PGPIRMKKHQOWIK-UHFFFAOYSA-N
MDL Number	MFCD01096981
Molecular Formula	C9H12O2S2
Molecular Weight	216.3204
SMILES	CC(C(C(C)=O)=C1SCCCS1)=O
Synonyms	55727-23-6, 3-(1,3-dithian-2-ylidene)pentane-2,4-dione, 3-(1,3-Dithian-2-ylidene)-2,4-pentanedione, 2,4-Pentanedione, 3-(1,3-dithian-2-ylidene)-, AC1LE8AY, AC1Q1J9S, CHEMBL32500, SCHEMBL5922461, CTK1F6221, ZINC47381, DTXSID40350531, PGPIRMKKHQOWIK-UHFFFAOYSA-N, KS-000017IE, MFCD01096981, AKOS004909299, MCULE-4516583878, NE42396, NCGC00333027-01, D4208, FT-0667724, ST50976473, Z2618, 2-(1-Acetyl-2-oxopropylidene)-1,3-dithiane, EN300-40817, AB01328648-02, 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE, Z415727998, C9H12O2S2, CID681994, ZINC00047381,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.028g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.313g/mol
Monoisotopic Mass	216.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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