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87527-72-8 | 1,3,4-Thiadiazol-2-amine, 5-[3-(3,4-dichlorophenoxy)propyl]-N-methyl-
CAS No: 87527-72-8 Catalog No: AG004F6F MDL No:
Product Description
Catalog Number:
AG004F6F
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(3,4-dichlorophenoxy)propyl]-N-methyl-
CAS Number:
87527-72-8
Molecular Formula:
C12H13Cl2N3OS
Molecular Weight:
318.2221
IUPAC Name:
5-[3-(3,4-dichlorophenoxy)propyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H13Cl2N3OS/c1-15-12-17-16-11(19-12)3-2-6-18-8-4-5-9(13)10(14)7-8/h4-5,7H,2-3,6H2,1H3,(H,15,17)
InChI Key:
LDMJUHZKNSOGAT-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCOc1ccc(c(c1)Cl)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.216g/mol
Monoisotopic Mass:
317.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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