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Home > Indoles and Oxindole > 309283-88-3
309283-88-3 | 5-Isopropyl-3-mercapto-5H-1,2,4-triazino[5,6-b]indole
CAS No: 309283-88-3 Catalog No: AG00J9HE MDL No:MFCD01581007
Product Description
Catalog Number:
AG00J9HE
Chemical Name:
5-Isopropyl-3-mercapto-5H-1,2,4-triazino[5,6-b]indole
CAS Number:
309283-88-3
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
MDL Number:
MFCD01581007
IUPAC Name:
5-propan-2-yl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C12H12N4S/c1-7(2)16-9-6-4-3-5-8(9)10-11(16)13-12(17)15-14-10/h3-7H,1-2H3,(H,13,15,17)
InChI Key:
LQMNINODHMLFGQ-UHFFFAOYSA-N
SMILES:
Sc1nnc2c(n1)n(C(C)C)c1c2cccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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