AG003M5S

35778-58-6 | 5-(4-DIETHYLAMINOBENZYLIDENE)RHODANINE

AG003M5S

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CAS Number	35778-58-6
Catalog Number	AG003M5S(AGN-PC-0K2EIH)
Chemical Name	5-(4-DIETHYLAMINOBENZYLIDENE)RHODANINE
EC Number	252-723-8
IUPAC Name	(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI	InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)/b12-9+
InChI Key	CWQLQYNQWCTDQF-FMIVXFBMSA-N
MDL Number	MFCD00193758
Molecular Formula	C14H16N2OS2
Molecular Weight	292.4196
SMILES	O=C1NC(S/C1=CC2=CC=C(N(CC)CC)C=C2)=S
Synonyms	5-(4-Diethylaminobenzylidene)rhodanine, 35778-58-6, (5E)-5-[4-(diethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5H)-one, p-Diethylaminobenzylidene rhodanine, 5-[4-(Diethylamino)benzylidene]rhodanine, 4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-, MFCD00193758, AC1LOC9K, 4-Diethylaminobenzalrhodanine, SCHEMBL194498, DTXSID8067943, 5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one, CWQLQYNQWCTDQF-FMIVXFBMSA-N, ALBB-009132, ZINC1859646, ZX-AN008027, ZX-CM001461, AKOS000307379, AKOS000412304, AJ-32134, BAS 00069285, TC-117032, D0464, Y-1170, I01-13235, 5-(4-Diethylamino-benzylidene)-2-thioxo-thiazolidin-4-one, (E)-5-(4-(diethylamino)benzylidene)-2-thioxothiazolidin-4-one, (5E)-5-[4-(Diethylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one #, (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanyl-1,3-thiazol-4-one, C14H16N2OS2, NSC97270, EINECS 252-723-8, C14-H16-N2-O-S2, NSC 97270, 5-(p-(Diethylamino)benzylidene)rhodanine, (p-(Diethylamino)benzylidene)rhodanine, CID1237172, 5-[p-(diethylamino)benzylidene]-2-thioxothiazolidin-4-one, 4-Thiazolidinone, 5-((4-(diethylamino)phenyl)methylene)-2-thioxo-,

Complexity	383
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	292.07g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.415g/mol
Monoisotopic Mass	292.07g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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