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Home > Sulfanilamide > 568570-12-7
568570-12-7 | N,N,1-triethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 568570-12-7 Catalog No: AG019ICV MDL No:MFCD04606939
Product Description
Catalog Number:
AG019ICV
Chemical Name:
N,N,1-triethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
568570-12-7
Molecular Formula:
C13H19N3O2S2
Molecular Weight:
313.4389
MDL Number:
MFCD04606939
IUPAC Name:
N,N,1-triethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C13H19N3O2S2/c1-4-15(5-2)20(17,18)10-7-8-12-11(9-10)14-13(19)16(12)6-3/h7-9H,4-6H2,1-3H3,(H,14,19)
InChI Key:
FBRKJRIPNIJZRZ-UHFFFAOYSA-N
SMILES:
CCn1c(S)nc2c1ccc(c2)S(=O)(=O)N(CC)CC
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.434g/mol
Monoisotopic Mass:
313.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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