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477857-65-1,MFCD02102308
Catalog No.:AA00IW6I

477857-65-1 | 4-[(E)-[(4-methoxyphenyl)methylidene]amino]-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

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Technical Information
Catalog Number:
AA00IW6I
Chemical Name:
4-[(E)-[(4-methoxyphenyl)methylidene]amino]-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
477857-65-1
Molecular Formula:
C14H12N4OS2
Molecular Weight:
316.4013
MDL Number:
MFCD02102308
SMILES:
COc1ccc(cc1)/C=N/n1c(S)nnc1c1cccs1
Properties
Computed Properties
 
Complexity:
446  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.3  

Literature
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SDS
Tags:477857-65-1 Molecular Formula|477857-65-1 MDL|477857-65-1 SMILES|477857-65-1 4-[(E)-[(4-methoxyphenyl)methylidene]amino]-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol