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41560-92-3 | 4-Oxazolidinone,3-ethyl-5-[1-methyl-2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-
CAS No: 41560-92-3 Catalog No: AG0071UA MDL No:
Product Description
Catalog Number:
AG0071UA
Chemical Name:
4-Oxazolidinone,3-ethyl-5-[1-methyl-2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-
CAS Number:
41560-92-3
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
IUPAC Name:
3-ethyl-5-[1-(1-methylpyrrolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C13H18N2O2S/c1-4-15-12(16)11(17-13(15)18)9(2)8-10-6-5-7-14(10)3/h8H,4-7H2,1-3H3
InChI Key:
LEOSWUSPSSGMKS-UHFFFAOYSA-N
SMILES:
CCN1C(=S)OC(=C(C=C2CCCN2C)C)C1=O
EC Number:
255-439-2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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