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73927-01-2 | Ethanethioic acid,S-(1-methyl-2,5-dioxo-3-pyrrolidinyl) ester
CAS No: 73927-01-2 Catalog No: AG005IXB MDL No:
Product Description
Catalog Number:
AG005IXB
Chemical Name:
Ethanethioic acid,S-(1-methyl-2,5-dioxo-3-pyrrolidinyl) ester
CAS Number:
73927-01-2
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
S-(1-methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
InChI:
InChI=1S/C7H9NO3S/c1-4(9)12-5-3-6(10)8(2)7(5)11/h5H,3H2,1-2H3
InChI Key:
RMYKCFYDSCXUPJ-UHFFFAOYSA-N
SMILES:
CC(=O)SC1CC(=O)N(C1=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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