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36278-87-2 | 4-Oxazolidinone,3-ethyl-5-(3-ethyl-2(3H)-benzothiazolylidene)-2-thioxo-
CAS No: 36278-87-2 Catalog No: AG007A7G MDL No:
Product Description
Catalog Number:
AG007A7G
Chemical Name:
4-Oxazolidinone,3-ethyl-5-(3-ethyl-2(3H)-benzothiazolylidene)-2-thioxo-
CAS Number:
36278-87-2
Molecular Formula:
C14H14N2O2S2
Molecular Weight:
306.4032
IUPAC Name:
3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C14H14N2O2S2/c1-3-15-9-7-5-6-8-10(9)20-13(15)11-12(17)16(4-2)14(19)18-11/h5-8H,3-4H2,1-2H3
InChI Key:
JNOADJJNFHPXOI-UHFFFAOYSA-N
SMILES:
CCN1C(=S)OC(=c2sc3c(n2CC)cccc3)C1=O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.398g/mol
Monoisotopic Mass:
306.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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