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172514-88-4 | 2-(2-oxo-1,3-oxazolidin-3-yl)ethanethioamide
CAS No: 172514-88-4 Catalog No: AG007VUX MDL No:MFCD01755554
Product Description
Catalog Number:
AG007VUX
Chemical Name:
2-(2-oxo-1,3-oxazolidin-3-yl)ethanethioamide
CAS Number:
172514-88-4
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
MDL Number:
MFCD01755554
IUPAC Name:
2-(2-oxo-1,3-oxazolidin-3-yl)ethanethioamide
InChI:
InChI=1S/C5H8N2O2S/c6-4(10)3-7-1-2-9-5(7)8/h1-3H2,(H2,6,10)
InChI Key:
WHJKRMRYZLBIRT-UHFFFAOYSA-N
SMILES:
NC(=S)CN1CCOC1=O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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