AG01E2FG

Name: IT901
Brand: Angene Chemical
SKU: AG01E2FG

1584121-99-2 | IT901

AG01E2FG

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CAS Number	1584121-99-2
Catalog Number	AG01E2FG(AGN-PC-3H45E5)
Chemical Name	IT901
IUPAC Name	5-[(2,4-dimethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI	InChI=1S/C17H14N2O4S/c1-22-13-8-14(23-2)11(9-5-3-4-6-10(9)13)7-12-15(20)18-17(24)19-16(12)21/h3-8H,1-2H3,(H2,18,19,20,21,24)
InChI Key	JHOPCCOYRKEHQU-UHFFFAOYSA-N
MDL Number	MFCD30729129
Molecular Formula	C17H14N2O4S
Molecular Weight	342.3691
SMILES	COC1=C(C2=CC=CC=C2C(=C1)OC)C=C1C(NC(NC1=O)=S)=O
Synonyms	1584121-99-2, IT 901, IT-901, SCHEMBL15622244, IT901, AKOS030211127, AC-30352, 5-((2,4-dimethoxynaphthalen-1-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,4-Dimethoxy-1-naphthalenyl)methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, JHOPCCOYRKEHQU-UHFFFAOYSA-N, ACN-053199,

Complexity	555
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.067g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	342.369g/mol
Monoisotopic Mass	342.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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