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25962-08-7 | 4-Thiazolidinone, 3-ethyl-5-(1-ethyl-4(1H)-pyridinylidene)-2-thioxo-
CAS No: 25962-08-7 Catalog No: AG002R84 MDL No:
Product Description
Catalog Number:
AG002R84
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-(1-ethyl-4(1H)-pyridinylidene)-2-thioxo-
CAS Number:
25962-08-7
Molecular Formula:
C12H14N2OS2
Molecular Weight:
266.3824
IUPAC Name:
3-ethyl-5-(1-ethylpyridin-4-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H14N2OS2/c1-3-13-7-5-9(6-8-13)10-11(15)14(4-2)12(16)17-10/h5-8H,3-4H2,1-2H3
InChI Key:
URVNGLXEYBEJIN-UHFFFAOYSA-N
SMILES:
CCn1ccc(=C2SC(=S)N(C2=O)CC)cc1
EC Number:
247-375-9
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.377g/mol
Monoisotopic Mass:
266.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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