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129224-51-7 | Ethanethioamide, 2-cyano-2-cyclopentylidene-
CAS No: 129224-51-7 Catalog No: AG000YYZ MDL No:MFCD00457737
Product Description
Catalog Number:
AG000YYZ
Chemical Name:
Ethanethioamide, 2-cyano-2-cyclopentylidene-
CAS Number:
129224-51-7
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
MDL Number:
MFCD00457737
IUPAC Name:
2-cyano-2-cyclopentylideneethanethioamide
InChI:
InChI=1S/C8H10N2S/c9-5-7(8(10)11)6-3-1-2-4-6/h1-4H2,(H2,10,11)
InChI Key:
CCXXZJAUUBAXIO-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCCC1)C(=S)N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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