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

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

CAS No.:
379728-86-6
Catalog Number:
AG00I7H1
Molecular Formula:
C10H11N3OS2
Molecular Weight:
253.3438
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Product Description
Catalog Number:
AG00I7H1
Chemical Name:
5-(2-Methoxy-5-methyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
CAS Number:
379728-86-6
Molecular Formula:
C10H11N3OS2
Molecular Weight:
253.3438
MDL Number:
MFCD03152703
IUPAC Name:
5-(2-methoxy-5-methylanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C10H11N3OS2/c1-6-3-4-8(14-2)7(5-6)11-9-12-13-10(15)16-9/h3-5H,1-2H3,(H,11,12)(H,13,15)
InChI Key:
CAKSBWQTZZGWDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Nc1nnc(s1)S)C
Properties
Complexity:
308  
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:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties