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Home Aminos 5-[(2,3-Dimethylphenyl)amino]-1,3,4-thiadiazole-2-thiol

5-[(2,3-Dimethylphenyl)amino]-1,3,4-thiadiazole-2-thiol

CAS No.:
379254-69-0
Catalog Number:
AG00I7GS
Molecular Formula:
C10H11N3S2
Molecular Weight:
237.3444
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Product Description
Catalog Number:
AG00I7GS
Chemical Name:
5-[(2,3-Dimethylphenyl)amino]-1,3,4-thiadiazole-2-thiol
CAS Number:
379254-69-0
Molecular Formula:
C10H11N3S2
Molecular Weight:
237.3444
MDL Number:
MFCD03147286
IUPAC Name:
5-(2,3-dimethylanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C10H11N3S2/c1-6-4-3-5-8(7(6)2)11-9-12-13-10(14)15-9/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
NHCVLGDUKSMZAG-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)Nc1cccc(c1C)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.339g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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