200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1008262-90-5
1008262-90-5 | 3,4-Thiazolidinedicarboxylic acid, 2-(4-bromophenyl)-, 3-(1,1-dimethylethyl) ester
CAS No: 1008262-90-5 Catalog No: AG0002Y4 MDL No:MFCD04115281
Product Description
Catalog Number:
AG0002Y4
Chemical Name:
3,4-Thiazolidinedicarboxylic acid, 2-(4-bromophenyl)-, 3-(1,1-dimethylethyl) ester
CAS Number:
1008262-90-5
Molecular Formula:
C15H17BrNO4S-
Molecular Weight:
387.2688
MDL Number:
MFCD04115281
IUPAC Name:
2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C15H18BrNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-4-6-10(16)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,18,19)
InChI Key:
QBUDEWVBCXLTHP-UHFFFAOYSA-N
SMILES:
O=C(N1C(CSC1c1ccc(cc1)Br)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.014g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.276g/mol
Monoisotopic Mass:
387.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.