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Home > Imidazoles > 61689-99-4
61689-99-4 | 2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)ETHANETHIOAMIDE
CAS No: 61689-99-4 Catalog No: AG00EJAL MDL No:MFCD05722969
Product Description
Catalog Number:
AG00EJAL
Chemical Name:
2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)ETHANETHIOAMIDE
CAS Number:
61689-99-4
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD05722969
IUPAC Name:
2-(1-methylbenzimidazol-2-yl)ethanethioamide
InChI:
InChI=1S/C10H11N3S/c1-13-8-5-3-2-4-7(8)12-10(13)6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)
InChI Key:
XJXHIQBZWBTMCG-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1nc2c(n1C)cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.9A^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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