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127914-07-2 | 3-(2-oxo-1,3-oxazolidin-3-yl)propanethioamide
CAS No: 127914-07-2 Catalog No: AG019N2G MDL No:MFCD11505391
Product Description
Catalog Number:
AG019N2G
Chemical Name:
3-(2-oxo-1,3-oxazolidin-3-yl)propanethioamide
CAS Number:
127914-07-2
Molecular Formula:
C6H10N2O2S
Molecular Weight:
174.2208
MDL Number:
MFCD11505391
IUPAC Name:
3-(2-oxo-1,3-oxazolidin-3-yl)propanethioamide
InChI:
InChI=1S/C6H10N2O2S/c7-5(11)1-2-8-3-4-10-6(8)9/h1-4H2,(H2,7,11)
InChI Key:
SULKXIVKCYZPHN-UHFFFAOYSA-N
SMILES:
NC(=S)CCN1CCOC1=O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.218g/mol
Monoisotopic Mass:
174.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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