AG00BF7J

Name: IMR-1
Brand: Angene Chemical
SKU: AG00BF7J

310456-65-6 | IMR-1

AG00BF7J

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CAS Number	310456-65-6
Catalog Number	AG00BF7J(AGN-PC-0WNHDB)
Chemical Name	IMR-1
IUPAC Name	ethyl 2-[2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
InChI	InChI=1S/C15H15NO5S2/c1-3-20-13(17)8-21-10-5-4-9(6-11(10)19-2)7-12-14(18)16-15(22)23-12/h4-7H,3,8H2,1-2H3,(H,16,18,22)/b12-7-
InChI Key	QHPJWPQRZMBKTG-GHXNOFRVSA-N
MDL Number	MFCD04141288
Molecular Formula	C15H15NO5S2
Molecular Weight	353.4133
SMILES	O=C(OCC)COC1=CC=C(/C=C(SC(N2)=S)C2=O)C=C1OC
Synonyms	IMR-1, 310456-65-6, AC1LOS4U, SCHEMBL18102845, s8280, STK751326, ZINC12413404, AKOS000613190, MCULE-5880004299, BAS 00436657, AB00084071-01, AB00084071-02, A0834/0039125, ethyl {2-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, ethyl {2-methoxy-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, ethyl 2-[2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate, ZINC01054608, CID1246061, A16152, [2-Methoxy-4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]acetic acid ethyl ester,

Complexity	508
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	353.039g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	353.407g/mol
Monoisotopic Mass	353.039g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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