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4547-02-8,MFCD02068928
Catalog No.:AA00DE9O

4547-02-8 | Benzp-dinitride-thio-ketone

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DE9O
Chemical Name:
Benzp-dinitride-thio-ketone
CAS Number:
4547-02-8
Molecular Formula:
C15H11ClN2S
Molecular Weight:
286.7792
MDL Number:
MFCD02068928
SMILES:
S=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1
Properties
Computed Properties
 
Complexity:
376  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:4547-02-8 Molecular Formula|4547-02-8 MDL|4547-02-8 SMILES|4547-02-8 Benzp-dinitride-thio-ketone
Catalog No.: AA00DE9O
4547-02-8,MFCD02068928
4547-02-8 | Benzp-dinitride-thio-ketone
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00DE9O
Chemical Name: Benzp-dinitride-thio-ketone
CAS Number: 4547-02-8
Molecular Formula: C15H11ClN2S
Molecular Weight: 286.7792
MDL Number: MFCD02068928
SMILES: S=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1
Properties
Complexity: 376  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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