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Home > Sulfanilamide > 338421-91-3
338421-91-3 | 4-methyl-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide
CAS No: 338421-91-3 Catalog No: AG00IQ01 MDL No:MFCD00180830
Product Description
Catalog Number:
AG00IQ01
Chemical Name:
4-methyl-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide
CAS Number:
338421-91-3
Molecular Formula:
C11H14N4O2S2
Molecular Weight:
298.3845
MDL Number:
MFCD00180830
IUPAC Name:
4-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
InChI:
InChI=1S/C11H14N4O2S2/c1-8-3-5-9(6-4-8)19(16,17)12-7-10-13-14-11(18)15(10)2/h3-6,12H,7H2,1-2H3,(H,14,18)
InChI Key:
IOMPRSGMGRXDKH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCc1nnc(n1C)S
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.379g/mol
Monoisotopic Mass:
298.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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