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126647-12-9 | 1-Pyrrolidineethanethioamide, 2-oxo-
CAS No: 126647-12-9 Catalog No: AG000T2B MDL No:
Product Description
Catalog Number:
AG000T2B
Chemical Name:
1-Pyrrolidineethanethioamide, 2-oxo-
CAS Number:
126647-12-9
Molecular Formula:
C6H10N2OS
Molecular Weight:
158.2214
IUPAC Name:
2-(2-oxopyrrolidin-1-yl)ethanethioamide
InChI:
InChI=1S/C6H10N2OS/c7-5(10)4-8-3-1-2-6(8)9/h1-4H2,(H2,7,10)
InChI Key:
XKTLQMLVNPHALN-UHFFFAOYSA-N
SMILES:
NC(=S)CN1CCCC1=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.219g/mol
Monoisotopic Mass:
158.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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