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13067-54-4

13067-54-4 | Benzene, 1,1'-[(phenylsulfonyl)cyclopropylidene]bis- (9CI)

CAS No: 13067-54-4 Catalog No: AG000USB MDL No:

Product Description

Catalog Number:
AG000USB
Chemical Name:
Benzene, 1,1'-[(phenylsulfonyl)cyclopropylidene]bis- (9CI)
CAS Number:
13067-54-4
Molecular Formula:
C21H18O2S
Molecular Weight:
334.4314
IUPAC Name:
[2-(benzenesulfonyl)-1-phenylcyclopropyl]benzene
InChI:
InChI=1S/C21H18O2S/c22-24(23,19-14-8-3-9-15-19)20-16-21(20,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2
InChI Key:
RRPQCLWZSFHNCP-UHFFFAOYSA-N
SMILES:
O=S(=O)(C1CC1(c1ccccc1)c1ccccc1)c1ccccc1
NSC Number:
116463

Properties

Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.103g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.433g/mol
Monoisotopic Mass:
334.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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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