diphenylmethanone;9H-thioxanthene 10-oxide

C26H20O2S — CID 66607485

IUPACdiphenylmethanone;9H-thioxanthene 10-oxide
SMILESO=C(c1ccccc1)c1ccccc1.O=S1c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10OS.C13H10O/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H,9H2;1-10H
InChIKeyFNGDRVPWVGJRPT-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.68
Rot. Bonds2

About diphenylmethanone;9H-thioxanthene 10-oxide

diphenylmethanone;9H-thioxanthene 10-oxide (PubChem CID 66607485) has the molecular formula C26H20O2S and a molecular weight of 396.51 g/mol. Its IUPAC name is diphenylmethanone;9H-thioxanthene 10-oxide.

Molecular Properties

Compound Namediphenylmethanone;9H-thioxanthene 10-oxide
PubChem CID66607485
Molecular FormulaC26H20O2S
Molecular Weight396.51 g/mol
Exact Mass396.12
IUPAC Namediphenylmethanone;9H-thioxanthene 10-oxide
SMILESO=C(c1ccccc1)c1ccccc1.O=S1c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10OS.C13H10O/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H,9H2;1-10H
InChIKeyFNGDRVPWVGJRPT-UHFFFAOYSA-N
XLogP5.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone
CID 3102
3-methyl-9H-thioxanthene 10-oxide
CID 66885365
2-hydroxy-1,2-diphenylethanone;2-propan-2-yl-9H-thioxanthene 10-oxide
CID 67904712
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
(10-oxo-9H-thioxanthen-3-yl) prop-2-enoate
CID 68788509
10-oxo-9H-thioxanthene-3-carbonitrile
CID 70623834
2-methoxy-9H-thioxanthene 10-oxide
CID 640900
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;9H-thioxanthene 10-oxide?
The IUPAC name of diphenylmethanone;9H-thioxanthene 10-oxide (CID 66607485) is diphenylmethanone;9H-thioxanthene 10-oxide.
What is the SMILES notation for diphenylmethanone;9H-thioxanthene 10-oxide?
The canonical SMILES for diphenylmethanone;9H-thioxanthene 10-oxide is O=C(c1ccccc1)c1ccccc1.O=S1c2ccccc2Cc2ccccc21.
What is the InChIKey of diphenylmethanone;9H-thioxanthene 10-oxide?
The InChIKey is FNGDRVPWVGJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS.C13H10O/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H,9H2;1-10H.
What are the key properties of diphenylmethanone;9H-thioxanthene 10-oxide?
diphenylmethanone;9H-thioxanthene 10-oxide has a molecular weight of 396.51 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;9H-thioxanthene 10-oxide is sourced from PubChem (CID 66607485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).