200,000+ products from a single source!
sales@angenechem.com
87740-84-9 | 4H-1,3-Thiazine-5-carbonitrile, 6-ethyl-4-oxo-2-phenyl-
CAS No: 87740-84-9 Catalog No: AG004FMF MDL No:
Product Description
Catalog Number:
AG004FMF
Chemical Name:
4H-1,3-Thiazine-5-carbonitrile, 6-ethyl-4-oxo-2-phenyl-
CAS Number:
87740-84-9
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
6-ethyl-4-oxo-2-phenyl-1,3-thiazine-5-carbonitrile
InChI:
InChI=1S/C13H10N2OS/c1-2-11-10(8-14)12(16)15-13(17-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChI Key:
BXGCLMIMQMMDAN-UHFFFAOYSA-N
SMILES:
CCc1sc(nc(=O)c1C#N)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.