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89295-98-7 | 4H-1-Benzopyran-4-thione, 2-methyl-3-phenyl-
CAS No: 89295-98-7 Catalog No: AG0040WR MDL No:
Product Description
Catalog Number:
AG0040WR
Chemical Name:
4H-1-Benzopyran-4-thione, 2-methyl-3-phenyl-
CAS Number:
89295-98-7
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
2-methyl-3-phenylchromene-4-thione
InChI:
InChI=1S/C16H12OS/c1-11-15(12-7-3-2-4-8-12)16(18)13-9-5-6-10-14(13)17-11/h2-10H,1H3
InChI Key:
SJSSUCGTBGCFPJ-UHFFFAOYSA-N
SMILES:
Cc1oc2ccccc2c(=S)c1c1ccccc1
Properties
Complexity:
365
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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