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565207-38-7 | N,N-diethyl-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS No: 565207-38-7 Catalog No: AG019I7C MDL No:MFCD04610440
Product Description
Catalog Number:
AG019I7C
Chemical Name:
N,N-diethyl-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS Number:
565207-38-7
Molecular Formula:
C15H20N4O2S2
Molecular Weight:
352.4749
MDL Number:
MFCD04610440
IUPAC Name:
N,N-diethyl-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C15H20N4O2S2/c1-4-10-19-14(16-17-15(19)22)12-8-7-9-13(11-12)23(20,21)18(5-2)6-3/h4,7-9,11H,1,5-6,10H2,2-3H3,(H,17,22)
InChI Key:
DMKAAAKHYCOXTP-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1cccc(c1)S(=O)(=O)N(CC)CC
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.471g/mol
Monoisotopic Mass:
352.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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