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138692-09-8 | 2-Oxazolidinone, 4-thioxo-
CAS No: 138692-09-8 Catalog No: AG00190X MDL No:
Product Description
Catalog Number:
AG00190X
Chemical Name:
2-Oxazolidinone, 4-thioxo-
CAS Number:
138692-09-8
Molecular Formula:
C3H3NO2S
Molecular Weight:
117.1264
IUPAC Name:
4-sulfanylidene-1,3-oxazolidin-2-one
InChI:
InChI=1S/C3H3NO2S/c5-3-4-2(7)1-6-3/h1H2,(H,4,5,7)
InChI Key:
IFXJQJKDPAJVMO-UHFFFAOYSA-N
SMILES:
O=C1OCC(=S)N1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.988g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.122g/mol
Monoisotopic Mass:
116.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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