200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 125209-33-8
125209-33-8 | 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl) ester
CAS No: 125209-33-8 Catalog No: AG000NCY MDL No:
Product Description
Catalog Number:
AG000NCY
Chemical Name:
4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl) ester
CAS Number:
125209-33-8
Molecular Formula:
C13H13N3O2S2
Molecular Weight:
307.3912
IUPAC Name:
S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
InChI:
InChI=1S/C13H13N3O2S2/c17-11-3-4-14-12-10(2-1-5-16(11)12)20-13(18)15-6-8-19-9-7-15/h1-5H,6-9H2
InChI Key:
BCIOODXIPGKJTJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCSCC1)Sc1cccn2c1nccc2=O
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.386g/mol
Monoisotopic Mass:
307.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.