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140885-77-4 | 4H-1-Benzopyran-4-thione, 6-methyl-2-phenyl-
CAS No: 140885-77-4 Catalog No: AG001CYX MDL No:
Product Description
Catalog Number:
AG001CYX
Chemical Name:
4H-1-Benzopyran-4-thione, 6-methyl-2-phenyl-
CAS Number:
140885-77-4
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
6-methyl-2-phenylchromene-4-thione
InChI:
InChI=1S/C16H12OS/c1-11-7-8-14-13(9-11)16(18)10-15(17-14)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
RTAKBVSQJNQGRY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=S)cc(o2)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.331g/mol
Monoisotopic Mass:
252.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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