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247109-15-5 | 1,3,4-Thiadiazol-2-amine, 5-(3-methoxyphenyl)-
CAS No: 247109-15-5 Catalog No: AG002P5B MDL No:MFCD00628650
Product Description
Catalog Number:
AG002P5B
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(3-methoxyphenyl)-
CAS Number:
247109-15-5
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD00628650
IUPAC Name:
5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C9H9N3OS/c1-13-7-4-2-3-6(5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChI Key:
ANOZGAXEWJZHBU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nnc(s1)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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