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1000933-52-7 | 2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one
CAS No: 1000933-52-7 Catalog No: AG019LL5 MDL No:MFCD09971528
Product Description
Catalog Number:
AG019LL5
Chemical Name:
2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one
CAS Number:
1000933-52-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD09971528
IUPAC Name:
2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C8H9NO2S/c10-6(5-1-2-5)3-8-9-7(11)4-12-8/h3,5H,1-2,4H2,(H,9,11)
InChI Key:
QRDJQNBEVWRBGC-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)C=C1SCC(=O)N1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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