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76259-00-2 | Imidazo[1,5-a]pyridine-3(2H)-thione
CAS No: 76259-00-2 Catalog No: AG005RCW MDL No:MFCD00052489
Product Description
Catalog Number:
AG005RCW
Chemical Name:
Imidazo[1,5-a]pyridine-3(2H)-thione
CAS Number:
76259-00-2
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD00052489
IUPAC Name:
2H-imidazo[1,5-a]pyridine-3-thione
InChI:
InChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10)
InChI Key:
IPOYUTJDAMAUNH-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc2n1cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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