200,000+ products from a single source!
sales@angenechem.com
100098-72-4 | Oxazole, 2-[[(3-bromophenyl)methyl]thio]-4,5-dihydro-4,4-dimethyl-, hydrochloride (1:1)
CAS No: 100098-72-4 Catalog No: AG0000WB MDL No:
Product Description
Catalog Number:
AG0000WB
Chemical Name:
Oxazole, 2-[[(3-bromophenyl)methyl]thio]-4,5-dihydro-4,4-dimethyl-, hydrochloride (1:1)
CAS Number:
100098-72-4
Molecular Formula:
C12H15BrClNOS
Molecular Weight:
336.6756
IUPAC Name:
2-[(3-bromophenyl)methylsulfanyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
InChI:
InChI=1S/C12H14BrNOS.ClH/c1-12(2)8-15-11(14-12)16-7-9-4-3-5-10(13)6-9;/h3-6H,7-8H2,1-2H3;1H
InChI Key:
AYYJDOJHFBBVKK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CSC1=NC(CO1)(C)C.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.975g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.672g/mol
Monoisotopic Mass:
334.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.