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Home > Indoles and Oxindole > 887202-51-9
887202-51-9 | 1-(2-Isothiocyanatoethyl)-1H-indole
CAS No: 887202-51-9 Catalog No: AG01AQY4 MDL No:MFCD04440791
Product Description
Catalog Number:
AG01AQY4
Chemical Name:
1-(2-Isothiocyanatoethyl)-1H-indole
CAS Number:
887202-51-9
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
MDL Number:
MFCD04440791
IUPAC Name:
1-(2-isothiocyanatoethyl)indole
InChI:
InChI=1S/C11H10N2S/c14-9-12-6-8-13-7-5-10-3-1-2-4-11(10)13/h1-5,7H,6,8H2
InChI Key:
FVRZLHSGVJXLOY-UHFFFAOYSA-N
SMILES:
S=C=NCCn1ccc2c1cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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