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Home > Pyridines > 109628-96-8
109628-96-8 | (2E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide
CAS No: 109628-96-8 Catalog No: AG0169RP MDL No:MFCD01571355
Product Description
Catalog Number:
AG0169RP
Chemical Name:
(2E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide
CAS Number:
109628-96-8
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
MDL Number:
MFCD01571355
IUPAC Name:
(E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide
InChI:
InChI=1S/C9H7N3S/c10-5-8(9(11)13)4-7-2-1-3-12-6-7/h1-4,6H,(H2,11,13)/b8-4+
InChI Key:
PNSDADFWVJVLIG-XBXARRHUSA-N
SMILES:
N#C/C(=C\c1cccnc1)/C(=S)N
NSC Number:
275410
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^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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