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27784-55-0 | Ethanone, 2-(1H-benzimidazol-2-ylthio)-1-cyclopropyl-
CAS No: 27784-55-0 Catalog No: AG002UQJ MDL No:MFCD01574358
Product Description
Catalog Number:
AG002UQJ
Chemical Name:
Ethanone, 2-(1H-benzimidazol-2-ylthio)-1-cyclopropyl-
CAS Number:
27784-55-0
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
MDL Number:
MFCD01574358
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclopropylethanone
InChI:
InChI=1S/C12H12N2OS/c15-11(8-5-6-8)7-16-12-13-9-3-1-2-4-10(9)14-12/h1-4,8H,5-7H2,(H,13,14)
InChI Key:
ATVWSZHDXNJBDB-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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