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35778-58-6 | 5-(4-DIETHYLAMINOBENZYLIDENE)RHODANINE
CAS No: 35778-58-6 Catalog No: AG003M5S MDL No:MFCD04079831
Product Description
Catalog Number:
AG003M5S
Chemical Name:
5-(4-DIETHYLAMINOBENZYLIDENE)RHODANINE
CAS Number:
35778-58-6
Molecular Formula:
C14H16N2OS2
Molecular Weight:
292.4196
MDL Number:
MFCD04079831
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
SMILES:
CCN(c1ccc(cc1)/C=C/1\SC(=S)NC1=O)CC
EC Number:
252-723-8
Properties
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
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