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1086385-64-9 | "5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine"
CAS No: 1086385-64-9 Catalog No: AG01FMBM MDL No:MFCD11655555
Product Description
Catalog Number:
AG01FMBM
Chemical Name:
"5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine"
CAS Number:
1086385-64-9
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD11655555
IUPAC Name:
5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
InChI:
InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-9(10)12-14-8/h2-5H,1H3,(H2,10,12)
InChI Key:
OIHLMLNHUBNHGW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1snc(n1)N
Properties
Complexity:
185
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:
2
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