AG00C6LB

Name: IMR-1A
Brand: Angene Chemical
SKU: AG00C6LB

331862-41-0 | IMR-1A

AG00C6LB

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COA

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CAS Number	331862-41-0
Catalog Number	AG00C6LB(AGN-PC-0WNHDC)
Chemical Name	IMR-1A
IUPAC Name	2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
InChI	InChI=1S/C13H11NO5S2/c1-18-9-4-7(2-3-8(9)19-6-11(15)16)5-10-12(17)14-13(20)21-10/h2-5H,6H2,1H3,(H,15,16)(H,14,17,20)/b10-5+
InChI Key	DVBJNSKWHSGTDK-BJMVGYQFSA-N
MDL Number	MFCD04083080
Molecular Formula	C13H11NO5S2
Molecular Weight	325.3601
SMILES	COc1cc(ccc1OCC(=O)O)/C=C1/SC(=S)NC1=O
Synonyms	IMR-1A, 331862-41-0, AC1LQPPJ, 2-{2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid, ZINC4827232, STK224834, AKOS000321935, AKOS003661303, CS-5752, HY-100431A, 2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid, CID1354721, BAS 00641718, {2-methoxy-4-[(E)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]phenoxy}acetic acid,

Complexity	479
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	325.008g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	325.353g/mol
Monoisotopic Mass	325.008g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	142A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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