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142074-87-1 | 2H-1-Benzothiopyran-2-one, 6-methyl-4-(4-morpholinylmethyl)-
CAS No: 142074-87-1 Catalog No: AG001HP6 MDL No:
Product Description
Catalog Number:
AG001HP6
Chemical Name:
2H-1-Benzothiopyran-2-one, 6-methyl-4-(4-morpholinylmethyl)-
CAS Number:
142074-87-1
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
6-methyl-4-(morpholin-4-ylmethyl)thiochromen-2-one
InChI:
InChI=1S/C15H17NO2S/c1-11-2-3-14-13(8-11)12(9-15(17)19-14)10-16-4-6-18-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChI Key:
QGQAPHQUNBUQKC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(CN1CCOCC1)cc(=O)s2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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