200,000+ products from a single source!
sales@angenechem.com
116861-45-1 | Thiazolium, 4-carboxy-4,5-dihydro-2-methyl-3-phenyl-, bromide (1:1)
CAS No: 116861-45-1 Catalog No: AG000DCE MDL No:
Product Description
Catalog Number:
AG000DCE
Chemical Name:
Thiazolium, 4-carboxy-4,5-dihydro-2-methyl-3-phenyl-, bromide (1:1)
CAS Number:
116861-45-1
Molecular Formula:
C11H12BrNO2S
Molecular Weight:
302.1875
IUPAC Name:
2-methyl-3-phenyl-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylic acid;bromide
InChI:
InChI=1S/C11H11NO2S.BrH/c1-8-12(9-5-3-2-4-6-9)10(7-15-8)11(13)14;/h2-6,10H,7H2,1H3;1H
InChI Key:
QTYQXDWWCHURMG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(=[N+]1c1ccccc1)C.[Br-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.186g/mol
Monoisotopic Mass:
300.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.