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74007-81-1 | ETHYL 5-ETHYL-2,4-DIOXO-6-PHENYL-1,3-THIAZINE-3-CARBOXYLATE
CAS No: 74007-81-1 Catalog No: AG005IJP MDL No:
Product Description
Catalog Number:
AG005IJP
Chemical Name:
ETHYL 5-ETHYL-2,4-DIOXO-6-PHENYL-1,3-THIAZINE-3-CARBOXYLATE
CAS Number:
74007-81-1
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
ethyl 5-ethyl-2,4-dioxo-6-phenyl-1,3-thiazine-3-carboxylate
InChI:
InChI=1S/C15H15NO4S/c1-3-11-12(10-8-6-5-7-9-10)21-15(19)16(13(11)17)14(18)20-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
BTHSXVKALBMZQT-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1c(=O)sc(c(c1=O)CC)c1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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