200,000+ products from a single source!
sales@angenechem.com
87431-54-7 | 1,3,4-Thiadiazol-2-amine, 5-[4-(3,5-dichlorophenoxy)butyl]-N-methyl-
CAS No: 87431-54-7 Catalog No: AG004FYF MDL No:
Product Description
Catalog Number:
AG004FYF
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[4-(3,5-dichlorophenoxy)butyl]-N-methyl-
CAS Number:
87431-54-7
Molecular Formula:
C13H15Cl2N3OS
Molecular Weight:
332.2487
IUPAC Name:
5-[4-(3,5-dichlorophenoxy)butyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H15Cl2N3OS/c1-16-13-18-17-12(20-13)4-2-3-5-19-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3,(H,16,18)
InChI Key:
SKLUYYWKKWHFQQ-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCCOc1cc(Cl)cc(c1)Cl
Properties
Complexity:
278
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.