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88742-90-9 | 1,3,4-Thiadiazol-2-amine, 5-(2,5-dimethoxyphenyl)-
CAS No: 88742-90-9 Catalog No: AG008BRC MDL No:MFCD02664094
Product Description
Catalog Number:
AG008BRC
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(2,5-dimethoxyphenyl)-
CAS Number:
88742-90-9
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
MDL Number:
MFCD02664094
IUPAC Name:
5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H11N3O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChI Key:
XYTWIGZBIMXQOD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1nnc(s1)N)OC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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