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Home > Pyridines > 175276-91-2
175276-91-2 | Ethanethioamide, 2-(2-pyridinylsulfonyl)-
CAS No: 175276-91-2 Catalog No: AG0020RP MDL No:MFCD00052951
Product Description
Catalog Number:
AG0020RP
Chemical Name:
Ethanethioamide, 2-(2-pyridinylsulfonyl)-
CAS Number:
175276-91-2
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
MDL Number:
MFCD00052951
IUPAC Name:
2-pyridin-2-ylsulfonylethanethioamide
InChI:
InChI=1S/C7H8N2O2S2/c8-6(12)5-13(10,11)7-3-1-2-4-9-7/h1-4H,5H2,(H2,8,12)
InChI Key:
SXZDKXKPNUSOTB-UHFFFAOYSA-N
SMILES:
NC(=S)CS(=O)(=O)c1ccccn1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.273g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Medicinal chemistry as a conduit for the modulation of quorum sensing. | Journal of medicinal chemistry 20101111 |
| 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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