Home Aminos 5-(4-Phenoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol

5-(4-Phenoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol

CAS No.:
380431-13-0
Catalog Number:
AG00I7HN
Molecular Formula:
C14H11N3OS2
Molecular Weight:
301.3866
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Product Description
Catalog Number:
AG00I7HN
Chemical Name:
5-(4-Phenoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol
CAS Number:
380431-13-0
Molecular Formula:
C14H11N3OS2
Molecular Weight:
301.3866
MDL Number:
MFCD03150680
IUPAC Name:
5-(4-phenoxyanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C14H11N3OS2/c19-14-17-16-13(20-14)15-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9H,(H,15,16)(H,17,19)
InChI Key:
XJOJTXVYSRMVJY-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)Nc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.034g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
301.382g/mol
Monoisotopic Mass:
301.034g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties