438031-57-3,MFCD03478374
Catalog No.:AA019HB6

438031-57-3 | 4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

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Technical Information
Catalog Number:
AA019HB6
Chemical Name:
4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
438031-57-3
Molecular Formula:
C13H8Cl2N4S
Molecular Weight:
323.2004
MDL Number:
MFCD03478374
SMILES:
Sc1nnc(n1c1ccc(c(c1)Cl)Cl)c1cccnc1
Properties
Computed Properties
 
Complexity:
417  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Literature
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SDS
Tags:438031-57-3 Molecular Formula|438031-57-3 MDL|438031-57-3 SMILES|438031-57-3 4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog No.: AA019HB6
438031-57-3,MFCD03478374
438031-57-3 | 4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
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: AA019HB6
Chemical Name: 4-(3,4-dichlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number: 438031-57-3
Molecular Formula: C13H8Cl2N4S
Molecular Weight: 323.2004
MDL Number: MFCD03478374
SMILES: Sc1nnc(n1c1ccc(c(c1)Cl)Cl)c1cccnc1
Properties
Complexity: 417  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
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