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Home Aminos 5-[(4-ethoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione

5-[(4-ethoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione

CAS No.:
68161-60-4
Catalog Number:
AG006E7J
Molecular Formula:
C10H11N3OS2
Molecular Weight:
253.3438
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Product Description
Catalog Number:
AG006E7J
Chemical Name:
5-[(4-ethoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione
CAS Number:
68161-60-4
Molecular Formula:
C10H11N3OS2
Molecular Weight:
253.3438
MDL Number:
MFCD02956713
IUPAC Name:
5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C10H11N3OS2/c1-2-14-8-5-3-7(4-6-8)11-9-12-13-10(15)16-9/h3-6H,2H2,1H3,(H,11,12)(H,13,15)
InChI Key:
DAVVZTNEMMMGOB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Nc1n[nH]c(=S)s1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.034g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.338g/mol
Monoisotopic Mass:
253.034g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties