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100727-39-7 | 4-[(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]BENZALDEHYDE
CAS No: 100727-39-7 Catalog No: AG009O0Z MDL No:
Product Description
Catalog Number:
AG009O0Z
Chemical Name:
4-[(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]BENZALDEHYDE
CAS Number:
100727-39-7
IUPAC Name:
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
InChI:
InChI=1S/C13H11NO2S2/c1-2-14-12(16)11(18-13(14)17)7-9-3-5-10(8-15)6-4-9/h3-8H,2H2,1H3
InChI Key:
YBNKADUMLCYNBY-UHFFFAOYSA-N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.356g/mol
Monoisotopic Mass:
277.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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