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19155-25-0 | 3,3-dimethylindoline-2-thione
CAS No: 19155-25-0 Catalog No: AG01CAYZ MDL No:MFCD00182844
Product Description
Catalog Number:
AG01CAYZ
Chemical Name:
3,3-dimethylindoline-2-thione
CAS Number:
19155-25-0
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00182844
IUPAC Name:
3,3-dimethyl-1H-indole-2-thione
InChI:
InChI=1S/C10H11NS/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
GXFQVSLTTOCGBF-UHFFFAOYSA-N
SMILES:
S=C1Nc2c(C1(C)C)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^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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