200,000+ products from a single source!
sales@angenechem.com
87411-02-7 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-[4-(2-methylphenoxy)butyl]-
CAS No: 87411-02-7 Catalog No: AG004GF0 MDL No:
Product Description
Catalog Number:
AG004GF0
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-[4-(2-methylphenoxy)butyl]-
CAS Number:
87411-02-7
Molecular Formula:
C14H19N3OS
Molecular Weight:
277.3852
IUPAC Name:
N-methyl-5-[4-(2-methylphenoxy)butyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C14H19N3OS/c1-11-7-3-4-8-12(11)18-10-6-5-9-13-16-17-14(15-2)19-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,15,17)
InChI Key:
ZTYHUVJOXYDERW-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCCOc1ccccc1C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.386g/mol
Monoisotopic Mass:
277.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.