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87527-77-3 | 1,3,4-Thiadiazol-2-amine, 5-[4-(2,4-dichlorophenoxy)butyl]-N-methyl-
CAS No: 87527-77-3 Catalog No: AG004HAB MDL No:
Product Description
Catalog Number:
AG004HAB
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[4-(2,4-dichlorophenoxy)butyl]-N-methyl-
CAS Number:
87527-77-3
Molecular Formula:
C13H15Cl2N3OS
Molecular Weight:
332.2487
IUPAC Name:
5-[4-(2,4-dichlorophenoxy)butyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H15Cl2N3OS/c1-16-13-18-17-12(20-13)4-2-3-7-19-11-6-5-9(14)8-10(11)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)
InChI Key:
WLHAXWYHRIGPIV-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCCOc1ccc(cc1Cl)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.243g/mol
Monoisotopic Mass:
331.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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