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477859-10-2 | 5-[(1H-indol-3-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
CAS No: 477859-10-2 Catalog No: AG00IWEN MDL No:MFCD00794237
Product Description
Catalog Number:
AG00IWEN
Chemical Name:
5-[(1H-indol-3-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
CAS Number:
477859-10-2
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
MDL Number:
MFCD00794237
IUPAC Name:
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H12N4S/c1-16-11(14-15-12(16)17)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,13H,6H2,1H3,(H,15,17)
InChI Key:
HADGGUBBBRVURY-UHFFFAOYSA-N
SMILES:
Cn1c(nnc1S)Cc1c[nH]c2c1cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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