200,000+ products from a single source!
sales@angenechem.com
116247-03-1 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(3-pyridinyl)-
CAS No: 116247-03-1 Catalog No: AG000C1D MDL No:MFCD02854711
Product Description
Catalog Number:
AG000C1D
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(3-pyridinyl)-
CAS Number:
116247-03-1
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD02854711
IUPAC Name:
2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)
InChI Key:
LJGAQGZEJDQDAU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(=N1)c1cccnc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.