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Home > Pyridines > 128917-85-1
128917-85-1 | 5-benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 128917-85-1 Catalog No: AG00J5YA MDL No:MFCD15732501
Product Description
Catalog Number:
AG00J5YA
Chemical Name:
5-benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
128917-85-1
Molecular Formula:
C15H14N2S
Molecular Weight:
254.3501
MDL Number:
MFCD15732501
IUPAC Name:
5-benzyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C15H14N2S/c1-10-13(8-12-6-4-3-5-7-12)11(2)17-15(18)14(10)9-16/h3-7H,8H2,1-2H3,(H,17,18)
InChI Key:
RBGHVLAZSQXTLL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c(c1C)Cc1ccccc1)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.351g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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