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AG00733S

438190-29-5 | SMI-4a

AG00733S

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CAS Number	438190-29-5
Catalog Number	AG00733S(AGN-PC-0WAF1N)
Chemical Name	SMI-4a
IUPAC Name	(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
InChI	InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
InChI Key	NGJLOFCOEOHFKQ-YVMONPNESA-N
MDL Number	MFCD01152003
Molecular Formula	C11H6F3NO2S
Molecular Weight	273.2310
SMILES	O=C(NC/1=O)SC1=C/C2=CC=CC(C(F)(F)F)=C2
Synonyms	438190-29-5, SMI-4a, SMI 4a, TCS PIM-1 4a, (Z)-SMI-4a, (Z)-5-(3-(trifluoromethyl)benzylidene)thiazolidine-2,4-dione, CHEMBL183906, (5Z)-5-[[3-(TRIFLUOROMETHYL)PHENYL]METHYLENE]-2,4-THIAZOLIDINEDIONE, (Z)-5-(3-(Trifluoromethyl)benzylidene)-thiazolidine-2,4-dione, 327033-36-3, (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, TCS-PIM-1-4a, C11H6F3NO2S, 5-(3-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione, 5-[3-(Trifluoromethyl)benzylidene]thiazolidine-2,4-dione, (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione, Pim inhibitor 4a, AK174894, 3vc4, SMI-4q, AC1LR2NZ, TCS PIM-1-4a, thiazolidine-2,4-dione, 4a, SCHEMBL2541382, SCHEMBL2541388, BDBM26626, AOB6260, EX-A111, SYN1113, BDBM138364, HMS3229J21, 2720AH, HY-16576A, MFCD01152003, s8005, ZINC12576047, AKOS001314163, SMI-4a, >=98% (HPLC), NCGC00345836-02, DA-42795, HY-15474, SC-96770, AB0165836, RT-015894, EC-000.2291, J3.561.866J, A11945, W-5256, US8877795, 12, 5-[[3-(trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione, 0FS, cc-717, AK-7, NGJLOFCOEOHFKQ-YVMONPNESA-N, ZINC01204064, ACN-039849, CID1361334, CS-1001, A4193, 420831-40-9,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	273.007g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.229g/mol
Monoisotopic Mass	273.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited