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1137-01-5 | Propanamide, 2-cyano-3-(phenylamino)-3-thioxo-
CAS No: 1137-01-5 Catalog No: AG0009DE MDL No:MFCD00276864
Product Description
Catalog Number:
AG0009DE
Chemical Name:
Propanamide, 2-cyano-3-(phenylamino)-3-thioxo-
CAS Number:
1137-01-5
Molecular Formula:
C10H9N3OS
Molecular Weight:
219.2630
MDL Number:
MFCD00276864
IUPAC Name:
3-anilino-2-cyano-3-sulfanylidenepropanamide
InChI:
InChI=1S/C10H9N3OS/c11-6-8(9(12)14)10(15)13-7-4-2-1-3-5-7/h1-5,8H,(H2,12,14)(H,13,15)
InChI Key:
ULIAPGGKPGOHQO-UHFFFAOYSA-N
SMILES:
N#CC(C(=S)Nc1ccccc1)C(=O)N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.262g/mol
Monoisotopic Mass:
219.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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