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Home > Indoles and Oxindole > 247571-59-1
247571-59-1 | 3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,5-dihydro-5-(2-propenyl)-
CAS No: 247571-59-1 Catalog No: AG00I4QU MDL No:MFCD00784978
Product Description
Catalog Number:
AG00I4QU
Chemical Name:
3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,5-dihydro-5-(2-propenyl)-
CAS Number:
247571-59-1
Molecular Formula:
C12H10N4S
Molecular Weight:
242.2996
MDL Number:
MFCD00784978
IUPAC Name:
5-prop-2-enyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C12H10N4S/c1-2-7-16-9-6-4-3-5-8(9)10-11(16)13-12(17)15-14-10/h2-6H,1,7H2,(H,13,15,17)
InChI Key:
DOVCOZLCUCPOIE-UHFFFAOYSA-N
SMILES:
C=CCn1c2nc(S)nnc2c2c1cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.3g/mol
Monoisotopic Mass:
242.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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