200,000+ products from a single source!
sales@angenechem.com
460707-77-1 | 1-Benzyl-3-(benzylsulfanyl)-4,5-dihydro-1H-pyrazole hydrobromide
CAS No: 460707-77-1 Catalog No: AG01EW2S MDL No:MFCD00966921
Product Description
Catalog Number:
AG01EW2S
Chemical Name:
1-Benzyl-3-(benzylsulfanyl)-4,5-dihydro-1H-pyrazole hydrobromide
CAS Number:
460707-77-1
Molecular Formula:
C17H19BrN2S
Molecular Weight:
363.3152
MDL Number:
MFCD00966921
IUPAC Name:
2-benzyl-5-benzylsulfanyl-3,4-dihydropyrazole;hydrobromide
InChI:
InChI=1S/C17H18N2S.BrH/c1-3-7-15(8-4-1)13-19-12-11-17(18-19)20-14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChI Key:
CRDKMXJGYMKWRL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSC1=NN(CC1)Cc1ccccc1.Br
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.045g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.317g/mol
Monoisotopic Mass:
362.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.