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672925-44-9 | 2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole
CAS No: 672925-44-9 Catalog No: AG00IUET MDL No:MFCD02082919
Product Description
Catalog Number:
AG00IUET
Chemical Name:
2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole
CAS Number:
672925-44-9
Molecular Formula:
C17H16N2O2S2
Molecular Weight:
344.4511
MDL Number:
MFCD02082919
IUPAC Name:
2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C17H16N2O2S2/c20-23(21,13-7-2-1-3-8-13)19-12-6-10-15(19)17-18-14-9-4-5-11-16(14)22-17/h1-5,7-9,11,15H,6,10,12H2
InChI Key:
LIXYWYGLRUVSSW-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCCC1c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.447g/mol
Monoisotopic Mass:
344.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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