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Home > Indoles and Oxindole > 917986-03-9
917986-03-9 | 1,3-Thiazino[5,6-b]indole, 4,5-dihydro-2-[(phenylmethyl)thio]-
CAS No: 917986-03-9 Catalog No: AG006LQN MDL No:
Product Description
Catalog Number:
AG006LQN
Chemical Name:
1,3-Thiazino[5,6-b]indole, 4,5-dihydro-2-[(phenylmethyl)thio]-
CAS Number:
917986-03-9
Molecular Formula:
C17H14N2S2
Molecular Weight:
310.4365
IUPAC Name:
2-benzylsulfanyl-4,5-dihydro-[1,3]thiazino[5,6-b]indole
InChI:
InChI=1S/C17H14N2S2/c1-2-6-12(7-3-1)11-20-17-18-10-15-16(21-17)13-8-4-5-9-14(13)19-15/h1-9,19H,10-11H2
InChI Key:
XVFBOXMMRZLHGE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSC1=NCc2c(S1)c1ccccc1[nH]2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.433g/mol
Monoisotopic Mass:
310.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Isobrassinin and its analogues: novel types of antiproliferative agents. | Bioorganic & medicinal chemistry letters 20061215 |
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