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522624-43-7 | 3-(4-SEC-BUTYL-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIETHYL-BENZENESULFONAMIDE
CAS No: 522624-43-7 Catalog No: AG00DBBM MDL No:MFCD03651677
Product Description
Catalog Number:
AG00DBBM
Chemical Name:
3-(4-SEC-BUTYL-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIETHYL-BENZENESULFONAMIDE
CAS Number:
522624-43-7
Molecular Formula:
C16H24N4O2S2
Molecular Weight:
368.5174
MDL Number:
MFCD03651677
IUPAC Name:
3-(4-butan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
InChI:
InChI=1S/C16H24N4O2S2/c1-5-12(4)20-15(17-18-16(20)23)13-9-8-10-14(11-13)24(21,22)19(6-2)7-3/h8-12H,5-7H2,1-4H3,(H,18,23)
InChI Key:
PIRFPQNMHVFINS-UHFFFAOYSA-N
SMILES:
CCC(n1c(S)nnc1c1cccc(c1)S(=O)(=O)N(CC)CC)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.514g/mol
Monoisotopic Mass:
368.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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