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Home > Indoles and Oxindole > 105748-58-1
105748-58-1 | 1,3-Thiazino[6,5-b]indole,4,9-dihydro-2-(methylthio)-
CAS No: 105748-58-1 Catalog No: AG007X0D MDL No:
Product Description
Catalog Number:
AG007X0D
Chemical Name:
1,3-Thiazino[6,5-b]indole,4,9-dihydro-2-(methylthio)-
CAS Number:
105748-58-1
Molecular Formula:
C11H10N2S2
Molecular Weight:
234.3405
IUPAC Name:
2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
InChI:
InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
InChI Key:
MVMVWNMQGBYIDM-UHFFFAOYSA-N
SMILES:
CSC1=NCc2c(S1)[nH]c1c2cccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.335g/mol
Monoisotopic Mass:
234.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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