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111198-30-2,MFCD00958329
Catalog No.:AA01F7K5

111198-30-2 | 2-Methyl-1-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole

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:
AA01F7K5
Chemical Name:
2-Methyl-1-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
CAS Number:
111198-30-2
Molecular Formula:
C15H14N2S
Molecular Weight:
254.3501
MDL Number:
MFCD00958329
SMILES:
Cc1nc2c(n1CSc1ccccc1)cccc2
Properties
Computed Properties
 
Complexity:
265  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.1  

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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Tags:111198-30-2 Molecular Formula|111198-30-2 MDL|111198-30-2 SMILES|111198-30-2 2-Methyl-1-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
Catalog No.: AA01F7K5
111198-30-2,MFCD00958329
111198-30-2 | 2-Methyl-1-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
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: AA01F7K5
Chemical Name: 2-Methyl-1-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
CAS Number: 111198-30-2
Molecular Formula: C15H14N2S
Molecular Weight: 254.3501
MDL Number: MFCD00958329
SMILES: Cc1nc2c(n1CSc1ccccc1)cccc2
Properties
Complexity: 265  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.1  
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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