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1018-36-6 | 1H-Pyrazol-3-amine, 2,5-dihydro-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1018-36-6 Catalog No: AG0005LP MDL No:
Product Description
Catalog Number:
AG0005LP
Chemical Name:
1H-Pyrazol-3-amine, 2,5-dihydro-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1018-36-6
Molecular Formula:
C10H13N3O2S
Molecular Weight:
239.2941
IUPAC Name:
2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-5-amine
InChI:
InChI=1S/C10H13N3O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12-13/h2-6,12H,7,11H2,1H3
InChI Key:
UCIBQVQNLBVGFW-UHFFFAOYSA-N
SMILES:
NC1=CCN(N1)S(=O)(=O)c1ccc(cc1)C
EC Number:
213-811-1
NSC Number:
122297
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.293g/mol
Monoisotopic Mass:
239.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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