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93072-23-2 | 4-Oxazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-pyridinylidene)-2-thioxo-
CAS No: 93072-23-2 Catalog No: AG006J57 MDL No:
Product Description
Catalog Number:
AG006J57
Chemical Name:
4-Oxazolidinone, 3-ethyl-5-(1-ethyl-2(1H)-pyridinylidene)-2-thioxo-
CAS Number:
93072-23-2
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
3-ethyl-5-(1-ethylpyridin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C12H14N2O2S/c1-3-13-8-6-5-7-9(13)10-11(15)14(4-2)12(17)16-10/h5-8H,3-4H2,1-2H3
InChI Key:
AQALMBDAANEHEL-UHFFFAOYSA-N
SMILES:
CCN1C(=S)OC(=c2ccccn2CC)C1=O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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