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87527-57-9 | 1,3,4-Thiadiazol-2-amine, 5-[3-(3,5-dichlorophenoxy)propyl]-
CAS No: 87527-57-9 Catalog No: AG004F6G MDL No:
Product Description
Catalog Number:
AG004F6G
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(3,5-dichlorophenoxy)propyl]-
CAS Number:
87527-57-9
Molecular Formula:
C11H11Cl2N3OS
Molecular Weight:
304.1955
IUPAC Name:
5-[3-(3,5-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H11Cl2N3OS/c12-7-4-8(13)6-9(5-7)17-3-1-2-10-15-16-11(14)18-10/h4-6H,1-3H2,(H2,14,16)
InChI Key:
NSDYTPKGKKYAHZ-UHFFFAOYSA-N
SMILES:
Clc1cc(OCCCc2nnc(s2)N)cc(c1)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.189g/mol
Monoisotopic Mass:
303g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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