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Home > Indoles and Oxindole > 80412-16-4
80412-16-4 | Thiourea, N-(1H-indol-2-ylmethyl)-N'-methyl-
CAS No: 80412-16-4 Catalog No: AG005LZC MDL No:
Product Description
Catalog Number:
AG005LZC
Chemical Name:
Thiourea, N-(1H-indol-2-ylmethyl)-N'-methyl-
CAS Number:
80412-16-4
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
IUPAC Name:
1-(1H-indol-2-ylmethyl)-3-methylthiourea
InChI:
InChI=1S/C11H13N3S/c1-12-11(15)13-7-9-6-8-4-2-3-5-10(8)14-9/h2-6,14H,7H2,1H3,(H2,12,13,15)
InChI Key:
ZJECTXBYTXGTNW-UHFFFAOYSA-N
SMILES:
CNC(=S)NCc1cc2c([nH]1)cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Isobrassinin and its analogues: novel types of antiproliferative agents. | Bioorganic & medicinal chemistry letters 20061215 |
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