2-bromo-9H-thioxanthene 10-oxide

C13H9BrOS — CID 10565624

IUPAC2-bromo-9H-thioxanthene 10-oxide
SMILESO=S1c2ccccc2Cc2cc(Br)ccc21
InChIInChI=1S/C13H9BrOS/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)16(13)15/h1-6,8H,7H2
InChIKeyNENDWYMOCFRDLF-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.52
Rot. Bonds

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

2-bromo-9H-thioxanthene 10-oxide (PubChem CID 10565624) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-bromo-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name2-bromo-9H-thioxanthene 10-oxide
PubChem CID10565624
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name2-bromo-9H-thioxanthene 10-oxide
SMILESO=S1c2ccccc2Cc2cc(Br)ccc21
InChIInChI=1S/C13H9BrOS/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)16(13)15/h1-6,8H,7H2
InChIKeyNENDWYMOCFRDLF-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9H-thioxanthene 10-oxide
CID 5324695
6-Bromo-4,4-dimethylthiochroman
CID 9816554
9H-Thioxanthene, 2-bromo-
CID 10660130
2-Bromodibenzothiophene 5,5-dioxide
CID 554821
6-bromo-3,4-dihydro-2H-1-benzothiopyran
CID 19702076
6-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
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6-Bromo-4-thionothioflavone
CID 630581
2,8-Dibromodibenzothiophene 5,5-dioxide
CID 3905994
2,8-Dibromodibenzothiophene 5-oxide
CID 11268330
1-Benzylsulfinyl-4-bromobenzene
CID 14396290
2-Bromodibenzothiophene-5-oxide
CID 15959584
4-Bromo-1-(phenylsulfonyl)-2-(trifluoromethyl)benzene
CID 68436333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-thioxanthene 10-oxide?
The IUPAC name of 2-bromo-9H-thioxanthene 10-oxide (CID 10565624) is 2-bromo-9H-thioxanthene 10-oxide.
What is the SMILES notation for 2-bromo-9H-thioxanthene 10-oxide?
The canonical SMILES for 2-bromo-9H-thioxanthene 10-oxide is O=S1c2ccccc2Cc2cc(Br)ccc21.
What is the InChIKey of 2-bromo-9H-thioxanthene 10-oxide?
The InChIKey is NENDWYMOCFRDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)16(13)15/h1-6,8H,7H2.
What are the key properties of 2-bromo-9H-thioxanthene 10-oxide?
2-bromo-9H-thioxanthene 10-oxide has a molecular weight of 293.19 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9H-thioxanthene 10-oxide is sourced from PubChem (CID 10565624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).