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150536-99-5 | Benzenamine, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-
CAS No: 150536-99-5 Catalog No: AG001MPK MDL No:MFCD00448901
Product Description
Catalog Number:
AG001MPK
Chemical Name:
Benzenamine, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-
CAS Number:
150536-99-5
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD00448901
IUPAC Name:
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
InChI:
InChI=1S/C11H13N3S/c1-7-11(8(2)14-13-7)15-10-6-4-3-5-9(10)12/h3-6H,12H2,1-2H3,(H,13,14)
InChI Key:
OXZGNCVDJZPDAX-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1c(C)n[nH]c1C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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