200,000+ products from a single source!
sales@angenechem.com
328090-49-9 | 4-Allyl-5-(2-bromo-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
CAS No: 328090-49-9 Catalog No: AG01F62V MDL No:
Product Description
Catalog Number:
AG01F62V
Chemical Name:
4-Allyl-5-(2-bromo-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
CAS Number:
328090-49-9
Molecular Formula:
C11H10BrN3S
Molecular Weight:
296.1862
IUPAC Name:
3-(2-bromophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H10BrN3S/c1-2-7-15-10(13-14-11(15)16)8-5-3-4-6-9(8)12/h2-6H,1,7H2,(H,14,16)
InChI Key:
MQUGQBUPAHOFLY-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]nc1c1ccccc1Br
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.978g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.186g/mol
Monoisotopic Mass:
294.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.