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400082-42-0 | 7-methyl-3,7-diphenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
CAS No: 400082-42-0 Catalog No: AG00ITWS MDL No:MFCD01871490
Product Description
Catalog Number:
AG00ITWS
Chemical Name:
7-methyl-3,7-diphenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
CAS Number:
400082-42-0
Molecular Formula:
C17H16N4S2
Molecular Weight:
340.4657
MDL Number:
MFCD01871490
IUPAC Name:
7-methyl-3,7-diphenyl-6,7a-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
InChI:
InChI=1S/C17H16N4S2/c1-17(12-8-4-2-5-9-12)14-18-15(22)20(21(14)16(23)19-17)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,18,22)(H,19,23)
InChI Key:
OBGAHUXKCOFNDS-UHFFFAOYSA-N
SMILES:
S=C1NC2N(N1c1ccccc1)C(=S)NC2(C)c1ccccc1
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.463g/mol
Monoisotopic Mass:
340.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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