2-methoxy-9H-thioxanthene 10-oxide

C14H12O2S — CID 640900

IUPAC2-methoxy-9H-thioxanthene 10-oxide
SMILESCOc1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C14H12O2S/c1-16-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)17(14)15/h2-7,9H,8H2,1H3
InChIKeyAJYYZOOYYKTJQA-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.77
Rot. Bonds1

About 2-methoxy-9H-thioxanthene 10-oxide

2-methoxy-9H-thioxanthene 10-oxide (PubChem CID 640900) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-methoxy-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name2-methoxy-9H-thioxanthene 10-oxide
PubChem CID640900
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-methoxy-9H-thioxanthene 10-oxide
SMILESCOc1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C14H12O2S/c1-16-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)17(14)15/h2-7,9H,8H2,1H3
InChIKeyAJYYZOOYYKTJQA-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-9H-thioxanthene 10-oxide
CID 66885365
3-(bromomethyl)-2-methoxy-9H-thioxanthene 10-oxide
CID 66886801
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
ethyl 7-methoxy-10-oxo-9H-thioxanthene-1-carboxylate
CID 68861739
(10-oxo-9H-thioxanthen-3-yl) prop-2-enoate
CID 68788509
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yne
CID 122384943
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
diphenylmethanone;9H-thioxanthene 10-oxide
CID 66607485
7-methoxy-10H-phenanthren-9-one
CID 135042116
1-methoxyethyl 10-oxo-9H-thioxanthene-3-carboxylate
CID 67742504
(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone
CID 165129256

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9H-thioxanthene 10-oxide?
The IUPAC name of 2-methoxy-9H-thioxanthene 10-oxide (CID 640900) is 2-methoxy-9H-thioxanthene 10-oxide.
What is the SMILES notation for 2-methoxy-9H-thioxanthene 10-oxide?
The canonical SMILES for 2-methoxy-9H-thioxanthene 10-oxide is COc1ccc2c(c1)Cc1ccccc1S2=O.
What is the InChIKey of 2-methoxy-9H-thioxanthene 10-oxide?
The InChIKey is AJYYZOOYYKTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)17(14)15/h2-7,9H,8H2,1H3.
What are the key properties of 2-methoxy-9H-thioxanthene 10-oxide?
2-methoxy-9H-thioxanthene 10-oxide has a molecular weight of 244.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9H-thioxanthene 10-oxide is sourced from PubChem (CID 640900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).