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86240-28-0 | (5Z)-5-(ethoxymethylene)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 86240-28-0 Catalog No: AG00JF1K MDL No:MFCD00175004
Product Description
Catalog Number:
AG00JF1K
Chemical Name:
(5Z)-5-(ethoxymethylene)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
86240-28-0
Molecular Formula:
C6H7NO2S2
Molecular Weight:
189.2553
MDL Number:
MFCD00175004
IUPAC Name:
5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C6H7NO2S2/c1-2-9-3-4-5(8)7-6(10)11-4/h3H,2H2,1H3,(H,7,8,10)
InChI Key:
BPNCBJFIFVKUAA-UHFFFAOYSA-N
SMILES:
CCO/C=C/1\SC(=S)NC1=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.247g/mol
Monoisotopic Mass:
188.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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