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73855-54-6 | Acetamide,N-(4-oxo-2-thioxo-3-thiazolidinyl)-, hydrate (1:1)
CAS No: 73855-54-6 Catalog No: AG005AYQ MDL No:
Product Description
Catalog Number:
AG005AYQ
Chemical Name:
Acetamide,N-(4-oxo-2-thioxo-3-thiazolidinyl)-, hydrate (1:1)
CAS Number:
73855-54-6
Molecular Formula:
C5H8N2O3S2
Molecular Weight:
208.2586
IUPAC Name:
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide;hydrate
InChI:
InChI=1S/C5H6N2O2S2.H2O/c1-3(8)6-7-4(9)2-11-5(7)10;/h2H2,1H3,(H,6,8);1H2
InChI Key:
BDONZQFHGVGJCB-UHFFFAOYSA-N
SMILES:
CC(=O)NN1C(=S)SCC1=O.O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.998g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.25g/mol
Monoisotopic Mass:
207.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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