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138249-96-4 | 9H-Thioxanthen-9-one, 3-(1-methylethyl)-
CAS No: 138249-96-4 Catalog No: AG0018EF MDL No:
Product Description
Catalog Number:
AG0018EF
Chemical Name:
9H-Thioxanthen-9-one, 3-(1-methylethyl)-
CAS Number:
138249-96-4
Molecular Formula:
C16H14OS
Molecular Weight:
254.3468
IUPAC Name:
3-propan-2-ylthioxanthen-9-one
InChI:
InChI=1S/C16H14OS/c1-10(2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16(13)17/h3-10H,1-2H3
InChI Key:
FBKCIXGXXJOPJS-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)sc1c(c2=O)cccc1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.347g/mol
Monoisotopic Mass:
254.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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