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151544-51-3 | 4H-1-Benzothiopyran-4-one, 6-(1,1-dimethylethyl)-2-methyl-
CAS No: 151544-51-3 Catalog No: AG001NER MDL No:
Product Description
Catalog Number:
AG001NER
Chemical Name:
4H-1-Benzothiopyran-4-one, 6-(1,1-dimethylethyl)-2-methyl-
CAS Number:
151544-51-3
Molecular Formula:
C14H16OS
Molecular Weight:
232.3412
IUPAC Name:
6-tert-butyl-2-methylthiochromen-4-one
InChI:
InChI=1S/C14H16OS/c1-9-7-12(15)11-8-10(14(2,3)4)5-6-13(11)16-9/h5-8H,1-4H3
InChI Key:
UGJQQQIJYRXXLS-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)c2c(s1)ccc(c2)C(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.341g/mol
Monoisotopic Mass:
232.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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